| Author | Title | Year | Journal/Proceedings | DOI/URL |
|---|---|---|---|---|
| Bauer, M.R., Krämer, A., Settanni, G., Jones, R.N., Ni, X., Khan Tareque, R et al. | Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm | 2020 | ACS Chemical Biology Vol. 15(3), pp. 657-668 | DOI URL |
| BESIII Collaboration, Ablikim, M., Achasov, M.N., Adlarson, P., Ahmed, S. et al. | Measurement of Proton Electromagnetic Form Factors in e+e−→p¯p in the Energy Region 2.00–3.08 GeV | 2020 | Physical Review Letters Vol. 124(4), pp. 042001 | DOI URL |
| Brinkmann, A., Mohror, K., Yu, W., Carns, P., Cortes, T., Klasky, S.A. et al. | Ad Hoc File Systems for High-Performance Computing | 2020 | Journal of Computer Science and Technology Vol. 35(1), pp. 4-26 | DOI URL |
| Brüser, R., Liu, Z.L. and Stahlhofen, M. | Three-loop soft function for heavy-to-light quark decays | 2020 | JHEP Vol. 03, pp. 071 | DOI |
| Bystritskiy, Y.M., Zykunov, V.A., Dbeyssi, A., Zambrana, M., Maas, F. and Tomasi-Gustafsson, E. | Radiative corrections in proton–antiproton annihilation to electron–positron and their application to the PANDA experiment | 2020 | The European Physical Journal A Vol. 56(2), pp. 58 | DOI URL |
| Erben, F., Green, J.R., Mohler, D. and Wittig, H. | Rho resonance, timelike pion form factor, and implications for lattice studies of the hadronic vacuum polarization | 2020 | Physical Review D Vol. 101(5), pp. 054504 | DOI URL |
| Fischer, A., Schmid, F. and Speck, T. | Quorum-sensing active particles with discontinuous motility | 2020 | Physical Review E Vol. 101(1), pp. 012601 | DOI URL |
| Haas, R., Kieck, T., Budker, D., Düllmann, C.E., Groot-Berning, K., Li, W. et al. | Development of a recoil ion source providing slow Th ions including 229(m)Th in a broad charge state distribution | 2020 | Hyperfine Interactions Vol. 241(1), pp. 25 | DOI URL |
| Janke, W. and Speck, T. | Modeling of epitaxial film growth of C60 revisited | 2020 | Physical Review B Vol. 101(12), pp. 125427 | DOI URL |
| Kadioglu, O., Saeed, M., Munder, M., Spuller, A., Greten, H.J. and Efferth, T. | Identification of Novel Rare ABCC1 Transporter Mutations in Tumor Biopsies of Cancer Patients | 2020 | Cells Vol. 9(2), pp. 299 | DOI URL |
| Kaufmann, P. and Kalkreuth, R. | On the Parameterization of Cartesian Genetic Programming | 2020 | #cec# | |
| Kersten, C., Fleischer, E., Kehrein, J., Borek, C., Jaenicke, E., Sotriffer, C. and Brenk, R. | How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using N-Myristoyltransferases as a Model System | 2020 | Journal of Medicinal Chemistry Vol. 63(5), pp. 2095-2113 | DOI URL |
| Klein, P., Johe, P., Wagner, A., Jung, S., Kühlborn, J., Barthels, F., Tenzer, S., et al. | New Cysteine Protease Inhibitors: Electrophilic (Het)arenes and Unexpected Prodrug Identification for the Trypanosoma Protease Rhodesain | 2020 | Molecules Vol. 25(6), pp. 1451 | DOI URL |
| Klein, R., Cendron, L., Montanari, M., Bellio, P., Celenza, G. et al. | Targeting the Class A Carbapenemase GES-5 via Virtual Screening | 2020 | Biomolecules Vol. 10(2), pp. 304 | DOI URL |
| Macaluso, E., Comparin, T., Umucalılar, R.O., Gerster, M., Montangero, S. et al. | Charge and statistics of lattice quasiholes from density measurements: A tree tensor network study | 2020 | Physical Review Research Vol. 2(1), pp. 013145 | DOI URL |
| Ntim, S. and Sulpizi, M. | Role of Image Charges in Ionic Liquid Confined between Metallic Interfaces | 2020 | Physical Chemistry Chemical Physics | |
| Schäfer, T.M. and Settanni, G. | Data Reweighting in Metadynamics Simulations | 2020 | J. Chem. Theory Comput. | DOI URL |
| Schaum, M., Pinzuti, E., Sebastian, A., Lieb, K., Fries, P., Mobascher, A. et al. | Cortical network mechanisms of response inhibition | 2020 | bioRxiv, pp. 2020.02.09.940841 | DOI URL |
| Sevenich, A., Mark, P.S., Behrendt, T., Groß, J. and Opatz, T. | Synthesis of 2,3-Dihydro-4-pyridones, 4-Quinolones, and 2,3-Dihydro-4-azocinones by Visible-Light Photocatalytic Aerobic Dehydrogenation | 2020 | European Journal of Organic Chemistry Vol. 2020(10), pp. 1505-1514 | DOI URL |
| Sotto, L., Kaufmann, P., Atkinson, T., Kalkreuth, R. and Basgalupp, M. | A Study on Graph Representations for Genetic Programming | 2020 | #gecco# | |
| Vef, M.-A., Moti, N., Süß, T., Tacke, M., Tocci, T., Nou, R., Miranda, A., Cortes, T. and Brinkmann, A. | GekkoFS — A Temporary Burst Buffer File System for HPC Applications | 2020 | Journal of Computer Science and Technology Vol. 35(1), pp. 72-91 | DOI URL |
| Wirth, V., Bubel, P., Eichhorn, J., Schömer, E., Kremer, T. et al. | The Role of Wind Speed and Wind Shear for Banner Cloud Formation | 2020 | Journal of the Atmospheric Sciences Vol. 77(4), pp. 1199-1212 | DOI URL |
| BESIII Collaboration, Ablikim, M., Achasov, M.N., Adlarson, P., Ahmed, S., Albrecht, M. et al. | Study of the process e+e−→p¯p via initial state radiation at BESIII | 2019 | Physical Review D Vol. 99(9), pp. 092002 | DOI URL |
| Carluccio, R., Kaus, B., Capitanio, F.A. and Moresi, L.N. | The Impact of a Very Weak and Thin Upper Asthenosphere on Subduction Motions | 2019 | Geophysical Research Letters Vol. 46(21), pp. 11893-11905 | DOI URL |
| Chertock, A., Kurganov, A., Lukáčová-Medvid’ová, M., Spichtinger, P. and Wiebe, B. | Stochastic Galerkin method for cloud simulation | 2019 | Mathematics of Climate and Weather Forecasting Vol. 5(1), pp. 65-106 | DOI URL |
| Djukanovic, D., Ottnad, K., Wilhelm, J. and Wittig, H. | Strange Electromagnetic Form Factors of the Nucleon with Nf=2+1 O(a)-Improved Wilson Fermions | 2019 | Physical Review Letters Vol. 123(21), pp. 212001 | DOI URL |
| Eichheimer, P., Thielmann, M., Popov, A., Golabek, G.J., Fujita, W., Kottwitz, M.O. and Kaus, B.J.P. | Pore-scale permeability prediction for Newtonian and non-Newtonian fluids | 2019 | Solid Earth Vol. 10(5), pp. 1717-1731 | DOI URL |
| Euler, C., Riemer, M., Kremer, T. and Schömer, E. | Lagrangian Description of Air Masses Associated with Latent Heat Release in Tropical Storm Karl (2016) during Extratropical Transition | 2019 | Monthly Weather Review Vol. 147(7), pp. 2657-2676 | DOI URL |
| Frank, A., Yang, D., Brinkmann, A., Schulz, M. and Süss, T. | Reducing False Node Failure Predictions in HPC | 2019 | 2019 IEEE 26th International Conference on High Performance Computing, Data, and Analytics (HiPC), pp. 323-332 | DOI |
| Gérardin, A., Cè, M., von Hippel, G., Hörz, B., Meyer, H.B., Mohler, D. et al. | Leading hadronic contribution to (g−2)μ from lattice QCD with Nf=2+1 flavors of O(a) improved Wilson quarks | 2019 | Physical Review D Vol. 100(1), pp. 014510 | DOI URL |
| Gérardin, A., Meyer, H.B. and Nyffeler, A. | Lattice calculation of the pion transition form factor with Nf=2+1 Wilson quarks | 2019 | Physical Review D Vol. 100(3), pp. 034520 | DOI URL |
| Gérardin, A., Harris, T. and Meyer, H.B. | Nonperturbative renormalization and O(a)-improvement of the nonsinglet vector current with Nf=2+1 Wilson fermions and tree-level Symanzik improved gauge action | 2019 | Physical Review D Vol. 99(1), pp. 014519 | DOI URL |
| Harris, T., von Hippel, G., Junnarkar, P., Meyer, H.B., Ottnad, K., Wilhelm, J., Wittig, H. and Wrang, L. | Nucleon isovector charges and twist-2 matrix elements with Nf=2+1 dynamical Wilson quarks | 2019 | Physical Review D Vol. 100(3), pp. 034513 | DOI URL |
| Henn, J., Peraro, T., Stahlhofen, M. and Wasser, P. | Matter dependence of the four-loop cusp anomalous dimension | 2019 | Phys. Rev. Lett. Vol. 122(20), pp. 201602 | DOI |
| Ibn-Salem, J. and Andrade-Navarro, M.A. | 7C: Computational Chromosome Conformation Capture by Correlation of ChIP-seq at CTCF motifs | 2019 | BMC Genomics Vol. 20(1), pp. 777 | DOI URL |
| Irsheid, L., Wehler, T., Borek, C., Kiefer, W., Brenk, R., Ortiz-Soto, M.E., Seibel, J. and Schirmeister, T. | Identification of a potential allosteric site of Golgi α-mannosidase II using computer-aided drug design | 2019 | PLOS ONE Vol. 14(5), pp. e0216132 | DOI URL |
| Jaschonek, S., Schäfer, K. and Diezemann, G. | Mechanical and Structural Tuning of Reversible Hydrogen Bonding in Interlocked Calixarene Nanocapsules | 2019 | The Journal of Physical Chemistry B Vol. 123(22), pp. 4688-4694 | DOI URL |
| Jung, G., Kasper, S. and Schmid, F. | Frequency-Dependent Dielectric Polarizability of Flexible Polyelectrolytes in Electrolyte Solution: A Dissipative Particle Dynamics Simulation | 2019 | Journal of The Electrochemical Society Vol. 166(9), pp. B3194 | DOI URL |
| Kadioglu, O. and Efferth, T. | A Machine Learning-Based Prediction Platform for P-Glycoprotein Modulators and Its Validation by Molecular Docking | 2019 | Cells Vol. 8(10), pp. 1286 | DOI URL |
| Kato, T., Schäfer, K., Jaschonek, S., Gauss, J. and Diezemann, G. | Temperature dependent mechanical unfolding of calixarene nanocapsules studied by molecular dynamics simulations | 2019 | The Journal of Chemical Physics Vol. 151(4), pp. 045102 | DOI URL |
| Kaur, R., Stoldt, M., Jongepier, E., Feldmeyer, B., Menzel, F., Bornberg-Bauer, E. and Foitzik, S. | Ant behaviour and brain gene expression of defending hosts depend on the ecological success of the intruding social parasite | 2019 | Philosophical Transactions of the Royal Society B: Biological Sciences Vol. 374(1769), pp. 20180192 | DOI URL |
| Kohlmeier, P., Alleman, A.R., Libbrecht, R., Foitzik, S. and Feldmeyer, B. | Gene expression is more strongly associated with behavioural specialization than with age or fertility in ant workers | 2019 | Molecular Ecology Vol. 28(3), pp. 658-670 | DOI URL |
| Kremer, K. and Brinkmann, A. | FADaC: a self-adapting data classifier for flash memory | 2019 | Proceedings of the 12th ACM International Conference on Systems and Storage, pp. 167-178 | DOI URL |
| Kshetrimayum, A., Rizzi, M., Eisert, J. and Orús, R. | Tensor Network Annealing Algorithm for Two-Dimensional Thermal States | 2019 | Physical Review Letters Vol. 122(7), pp. 070502 | DOI URL |
| Lipp, B., Kammer, L.M., Kücükdisli, M., Luque, A., Kühlborn, J. et al. | Visible Light-Induced Sulfonylation/Arylation of Styrenes in a Double Radical Three-Component Photoredox Reaction | 2019 | Chemistry – A European Journal Vol. 25(38), pp. 8965-8969 | DOI URL |
| Mäsker, M., Süß, T., Nagel, L., Zeng, L. and Brinkmann, A. | Hyperion: Building the Largest In-memory Search Tree | 2019 | Proceedings of the 2019 International Conference on Management of Data, pp. 1207-1222 | DOI URL |
| Mantha, S., Qi, S., Barz, M. and Schmid, F. | How ill-defined constituents produce well-defined nanoparticles: Effect of polymer dispersity on the uniformity of copolymeric micelles | 2019 | Physical Review Materials Vol. 3(2), pp. 026002 | DOI URL |
| Midya, J., Cang, Y., Egorov, S.A., Matyjaszewski, K., Bockstaller, M.R., Nikoubashman, A. and Fytas, G. | Disentangling the Role of Chain Conformation on the Mechanics of Polymer Tethered Particle Materials | 2019 | Nano Letters Vol. 19(4), pp. 2715-2722 | DOI URL |
| Milchev, A., Nikoubashman, A. and Binder, K. | The smectic phase in semiflexible polymer materials: A large scale molecular dynamics study | 2019 | Computational Materials Science Vol. 166, pp. 230-239 | DOI URL |
| Millies, B., von Hammerstein, F., Gellert, A., Hammerschmidt, S., et al. | Proline-Based Allosteric Inhibitors of Zika and Dengue Virus NS2B/NS3 Proteases | 2019 | Journal of Medicinal Chemistry Vol. 62(24), pp. 11359-11382 | DOI URL |
| More, P., Goedtel-Armbrust, U., Shah, V., Mathaes, M., Kindler, T. et al. | Drivers of topoisomerase II poisoning mimic and complement cytotoxicity in AML cells | 2019 | Oncotarget Vol. 10(51), pp. 5298-5312 | DOI URL |
| Morozova, T.I. and Nikoubashman, A. | Surface Activity of Soft Polymer Colloids | 2019 | Langmuir Vol. 35(51), pp. 16907-16914 | DOI URL |
| Salkhordeh, R. and Brinkmann, A. | Online Management of Hybrid DRAM-NVMM Memory for HPC | 2019 | 2019 IEEE 26th International Conference on High Performance Computing, Data, and Analytics (HiPC), pp. 277-289 | DOI |
| Schafer, T., Muhl, C., Barz, M., Schmid, F. and Settanni, G. | Interactions Between Blood Proteins and Nanoparticles Investigated Using Molecular Dynamics Simulations | 2019 | High Performance Computing in Science and Engineering'18, pp. 63-74 | |
| Schwall, P., Meesters, C. and Hardt, J. | Estimating person parameters via item response model and simple sum score in small samples with few polytomous items: A simulation study. | 2019 | Statistics in medicine Vol. 38, pp. 4040-4050 | |
| Sobania, D. and Rothlauf, F. | Teaching GP to program like a human software developer: using perplexity pressure to guide program synthesis approaches | 2019 | Proceedings of the Genetic and Evolutionary Computation Conference, pp. 1065-1074 | DOI URL |
| Sotto, L.F.D.P. and Rothlauf, F. | On the role of non-effective code in linear genetic programming | 2019 | Proceedings of the Genetic and Evolutionary Computation Conference, pp. 1075-1083 | DOI URL |
| Taškova, K., Fontaine, J.-F., Mrowka, R. and Andrade-Navarro, M.A. | Literature optimized integration of gene expression for organ-specific evaluation of toxicogenomics datasets | 2019 | PLOS ONE Vol. 14(1), pp. e0210467 | DOI URL |
| Treiling, S., Wang, C., Förster, C., Reichenauer, F., Kalmbach, J., Boden, P. et al. | Luminescence and Light-Driven Energy and Electron Transfer from an Exceptionally Long-Lived Excited State of a Non-Innocent Chromium(III) Complex | 2019 | Angewandte Chemie Vol. 131(50), pp. 18243-18253 | DOI URL |
| Tsitsigkos, D., Bouros, P., Mamoulis, N. and Terrovitis, M. | Parallel In-Memory Evaluation of Spatial Joins | 2019 | Proceedings of the 27th ACM SIGSPATIAL International Conference on Advances in Geographic Information Systems, pp. 516-519 | DOI URL |
| Wang, X., Kaus, B.J.P., Zhao, L., Yang, J. and Li, Y. | Mountain Building in Taiwan: Insights From 3-D Geodynamic Models | 2019 | Journal of Geophysical Research: Solid Earth Vol. 124(6), pp. 5924-5950 | DOI URL |
| Adams, L., Chaubey, E. and Weinzierl, S. | Planar Double Box Integral for Top Pair Production with a Closed Top Loop to all orders in the Dimensional Regularization Parameter | 2018 | Phys. Rev. Lett. Vol. 121(14), pp. 142001 | DOI |
| Alleman, A., Feldmeyer, B. and Foitzik, S. | Comparative analyses of co-evolving host-parasite associations reveal unique gene expression patterns underlying slavemaker raiding and host defensive phenotypes | 2018 | Scientific Reports Vol. 8(1), pp. 1-14 | DOI URL |
| Baumgartner, M. and Spichtinger, P. | Towards a bulk approach to local interactions of hydrometeors | 2018 | Atmospheric Chemistry and Physics Vol. 18(4), pp. 2525-2546 | DOI URL |
| Brüser, R., Liu, Z.L. and Stahlhofen, M. | Three-Loop Quark Jet Function | 2018 | Phys. Rev. Lett. Vol. 121(7), pp. 072003 | DOI |
| Collaboration, A. | Search for a new heavy gauge boson resonance decaying into a lepton and missing transverse momentum in 36 fb$textasciicircum-1\$ of $pp$ collisions at $\sqrts\ =$ 13 TeV with the ATLAS experiment | 2018 | The European Physical Journal C Vol. 78(5), pp. 401 | DOI URL |
| Collaboration, A. | Measurement of the W-boson mass in pp collisions at 𝑠√=7TeV with the ATLAS detector | 2018 | The European Physical Journal C Vol. 78(2), pp. 110 | DOI URL |
| Dietrich, K., Baumgart, J., Eshkind, L., Reuter, L., Gödtel-Armbrust, U. et al. | Health-Relevant Phenotypes in the Offspring of Mice Given CAR Activators Prior to Pregnancy | 2018 | Drug Metabolism and Disposition Vol. 46(11), pp. 1827-1835 | DOI URL |
| Geada, I.L., Ramezani-Dakhel, H., Jamil, T., Sulpizi, M. and Heinz, H. | Insight into induced charges at metal surfaces and biointerfaces using a polarizable Lennard--Jones potential | 2018 | Nature communications Vol. 9(1), pp. 1-14 | |
| Geada, I.L., Petit, I., Sulpizi, M. and Tielens, F. | Unravelling the GLY-PRO-GLU tripeptide induced reconstruction of the Au (110) surface at the molecular scale | 2018 | Surface Science Vol. 677, pp. 271-277 | |
| Gérardin, A., Green, J., Gryniuk, O., von Hippel, G., Meyer, H.B., Pascalutsa, V. and Wittig, H. | Hadronic light-by-light scattering amplitudes from lattice QCD versus dispersive sum rules | 2018 | Physical Review D Vol. 98(7), pp. 074501 | DOI URL |
| Jaschonek, S., Cascella, M., Gauss, J., Diezemann, G. and Milano, G. | Intramolecular structural parameters are key modulators of the gel-liquid transition in coarse grained simulations of DPPC and DOPC lipid bilayers | 2018 | Biochemical and Biophysical Research Communications Vol. 498(2), pp. 327-333 | DOI URL |
| Jung, G., Hanke, M. and Schmid, F. | Generalized Langevin dynamics: construction and numerical integration of non-Markovian particle-based models | 2018 | Soft Matter Vol. 14(46), pp. 9368-9382 | DOI URL |
| Khadilkar, M.R. and Nikoubashman, A. | Self-assembly of semiflexible polymers confined to thin spherical shells | 2018 | Soft Matter Vol. 14(33), pp. 6903-6911 | DOI URL |
| Klein, R., Linciano, P., Celenza, G., Bellio, P., Papaioannou, S., Blazquez, J. et al. | In silico identification and experimental validation of hits active against KPC-2 β-lactamase | 2018 | PLOS ONE Vol. 13(11), pp. e0203241 | DOI URL |
| Knoch, F., Schäfer, K., Diezemann, G. and Speck, T. | Dynamic coarse-graining fills the gap between atomistic simulations and experimental investigations of mechanical unfolding | 2018 | The Journal of Chemical Physics Vol. 148(4), pp. 044109 | DOI URL |
| Knoch, F. and Speck, T. | Unfolding dynamics of small peptides biased by constant mechanical forces | 2018 | Molecular Systems Design & Engineering Vol. 3(1), pp. 204-213 | DOI URL |
| Kohlmeier, P., Feldmeyer, B. and Foitzik, S. | Vitellogenin-like A–associated shifts in social cue responsiveness regulate behavioral task specialization in an ant | 2018 | PLOS Biology Vol. 16(6), pp. e2005747 | DOI URL |
| Milchev, A., Egorov, S.A., Vega, D.A., Binder, K. and Nikoubashman, A. | Densely Packed Semiflexible Macromolecules in a Rigid Spherical Capsule | 2018 | Macromolecules Vol. 51(5), pp. 2002-2016 | DOI URL |
| Morozova, T.I. and Nikoubashman, A. | Coil–Globule Collapse of Polystyrene Chains in Tetrahydrofuran–Water Mixtures | 2018 | The Journal of Physical Chemistry B Vol. 122(7), pp. 2130-2137 | DOI URL |
| Otto, S., Harris, J.P., Heinze, K. and Reber, C. | Molecular Ruby under Pressure | 2018 | Angewandte Chemie International Edition Vol. 57(34), pp. 11069-11073 | DOI URL |
| Otto, S., Förster, C., Wang, C., Resch-Genger, U. and Heinze, K. | A Strongly Luminescent Chromium(III) Complex Acid | 2018 | Chemistry – A European Journal Vol. 24(48), pp. 12555-12563 | DOI URL |
| Pusch, S., Tröster, A., Lefrancois, D., Farahani, P., Dreuw, A., Bach, T. and Opatz, T. | Mechanism and cis/trans Selectivity of Vinylogous Nazarov-type [6π] Photocyclizations | 2018 | The Journal of Organic Chemistry Vol. 83(2), pp. 964-972 | DOI URL |
| Pusok, A.E., Kaus, B.J.P. and Popov, A.A. | The effect of rheological approximations in 3-D numerical simulations of subduction and collision | 2018 | Tectonophysics Vol. 746, pp. 296-311 | DOI URL |
| Qi, S., Klushin, L.I., Skvortsov, A.M., Liu, M., Zhou, J. and Schmid, F. | Tuning Transition Properties of Stimuli-Responsive Brushes by Polydispersity | 2018 | Advanced Functional Materials Vol. 28(49), pp. 1800745 | DOI URL |
| Reuber, G.S., Kaus, B.J.P., Popov, A.A. and Baumann, T.S. | Unraveling the Physics of the Yellowstone Magmatic System Using Geodynamic Simulations | 2018 | Frontiers in Earth Science Vol. 6 | DOI URL |
| Reuber, G.S., Popov, A.A. and Kaus, B.J.P. | Deriving scaling laws in geodynamics using adjoint gradients | 2018 | Tectonophysics Vol. 746, pp. 352-363 | DOI URL |
| Richard, D. and Speck, T. | Crystallization of hard spheres revisited. I. Extracting kinetics and free energy landscape from forward flux sampling | 2018 | The Journal of Chemical Physics Vol. 148(12), pp. 124110 | DOI URL |
| Richard, D. and Speck, T. | Crystallization of hard spheres revisited. II. Thermodynamic modeling, nucleation work, and the surface of tension | 2018 | The Journal of Chemical Physics Vol. 148(22), pp. 224102 | DOI URL |
| Rizzi, M., Miniatura, C., Minguzzi, A. and Vignolo, P. | Scaling behavior of Tan's contact for trapped Lieb-Liniger bosons: From two to many | 2018 | Physical Review A Vol. 98(4), pp. 043607 | DOI URL |
| Schäfer, T., Zhou, J., Schmid, F. and Settanni, G. | Blood Proteins and Their Interactions with Nanoparticles Investigated Using Molecular Dynamics Simulations | 2018 | High Performance Computing in Science and Engineering'17, pp. 5-19 | |
| Schweim, D. and Rothlauf, F. | An analysis of the bias of variation operators of estimation of distribution programming | 2018 | Proceedings of the Genetic and Evolutionary Computation Conference, pp. 1191-1198 | DOI URL |
| Settanni, G., Schäfer, T., Muhl, C., Barz, M. and Schmid, F. | Poly-sarcosine and Poly (Ethylene-Glycol) interactions with proteins investigated using molecular dynamics simulations | 2018 | Computational and structural biotechnology journal Vol. 16, pp. 543-550 | |
| Siebert, J.T., Dittrich, F., Schmid, F., Binder, K., Speck, T. and Virnau, P. | Critical behavior of active Brownian particles | 2018 | Physical Review E Vol. 98(3), pp. 030601 | DOI URL |
| Sobania, D. and Rothlauf, F. | CovSel: A new approach for ensemble selection applied to symbolic regression problems | 2018 | Proceedings of the Genetic and Evolutionary Computation Conference, pp. 529-536 | DOI URL |
| Srivastva, D. and Nikoubashman, A. | Flow Behavior of Chain and Star Polymers and Their Mixtures | 2018 | Polymers Vol. 10(6), pp. 599 | DOI URL |
| Talyan, S., Andrade-Navarro, M.A. and Muro, E.M. | Identification of transcribed protein coding sequence remnants within lincRNAs | 2018 | Nucleic Acids Research Vol. 46(17), pp. 8720-8729 | DOI URL |
| Taškova, K., Fontaine, J.-F., Mrowka, R. and Andrade-Navarro, M.A. | Evaluation of in vivo and in vitro models of toxicity by comparison of toxicogenomics data with the literature | 2018 | Methods Vol. 132, pp. 57-65 | DOI URL |
| Usui, K., Hunger, J., Bonn, M. and Sulpizi, M. | Dynamical heterogeneities of rotational motion in room temperature ionic liquids evidenced by molecular dynamics simulations | 2018 | The Journal of Chemical Physics Vol. 148(19), pp. 193811 | |
| Vef, M.-A., Moti, N., Süß, T., Tocci, T., Nou, R., Miranda, A., Cortes, T. and Brinkmann, A. | GekkoFS - A Temporary Distributed File System for HPC Applications | 2018 | 2018 IEEE International Conference on Cluster Computing (CLUSTER), pp. 319-324 | DOI |
| Wang, C., Otto, S., Dorn, M., Kreidt, E., Lebon, J., Sršan, L., Di Martino‐Fumo, P. et al. | Deuterated Molecular Ruby with Record Luminescence Quantum Yield | 2018 | Angewandte Chemie International Edition Vol. 57(4), pp. 1112-1116 | DOI URL |
| Aaboud, M., Aad, G., Abbott, B., Abdallah, J., Abdinov, O., Abeloos, B. et al. | Measurement of the 𝑡𝑡¯𝑍𝑡𝑡¯𝑍and 𝑡𝑡¯𝑊𝑡𝑡¯𝑊production cross sections in multilepton final states using 3.2 fb−1of 𝑝𝑝𝑝𝑝collisions at 𝑠√= 13 TeV with the ATLAS detector | 2017 | The European Physical Journal C Vol. 77(1), pp. 40 | DOI URL |
| Adams, L., Chaubey, E. and Weinzierl, S. | Simplifying differential equations for multi-scale Feynman integrals beyond multiple polylogarithms | 2017 | Phys. Rev. Lett. Vol. 118(14), pp. 141602 | DOI |
| Baumgartner, M. and Spichtinger, P. | Local Interactions by Diffusion between Mixed-Phase Hydrometeors: Insights from Model Simulations | 2017 | Mathematics of Climate and Weather Forecasting Vol. 3(1), pp. 64-89 | DOI URL |
| BESIII Collaboration, Ablikim, M., Achasov, M.N., Ahmed, S., Ai, X.C., Albayrak, O. et al. | Precise Measurement of the e+e−→π+π−J/ψ Cross Section at Center-of-Mass Energies from 3.77 to 4.60 GeV | 2017 | Physical Review Letters Vol. 118(9), pp. 092001 | DOI URL |
| BESIII Collaboration, Ablikim, M., Achasov, M.N., Ahmed, S., Ai, X.C., Albayrak, O et al. | Evidence of Two Resonant Structures in e+e−→π+π−hc | 2017 | Physical Review Letters Vol. 118(9), pp. 092002 | DOI URL |
| Bischoff, M., Jünemann, J., Polini, M. and Rizzi, M. | Tuning the Drude weight of Dirac-Weyl fermions in one-dimensional ring traps | 2017 | Physical Review B Vol. 96(24), pp. 241112 | DOI URL |
| Collaboration, A. | Search for squarks and gluinos in events with an isolated lepton, jets, and missing transverse momentum at $\sqrts\$ = 13 TeV with the ATLAS detector | 2017 | Physical Review D Vol. 96(11), pp. 112010 | DOI URL |
| Collaboration, A. | Evidence for light-by-light scattering in heavy-ion collisions with the ATLAS detector at the LHC | 2017 | Nature Physics Vol. 13(9), pp. 852-858 | DOI URL |
| Collaboration, A. | Measurement of the ZZ production cross section in proton-proton collisions at 𝑠√=8 TeV using the ZZ → ℓ−ℓ+ℓ′−ℓ′+ and 𝑍𝑍→ℓ−ℓ+𝜈𝜈⎯⎯⎯ decay channels with the ATLAS detector | 2017 | Journal of High Energy Physics Vol. 2017(1), pp. 99 | DOI URL |
| El Hedri, S., Kaminska, A. and de Vries, M. | A Sommerfeld Toolbox for Colored Dark Sectors | 2017 | Eur. Phys. J. C Vol. 77(9), pp. 622 | DOI |
| El Hedri, S., Kaminska, A., de Vries, M. and Zurita, J. | Simplified Phenomenology for Colored Dark Sectors | 2017 | JHEP Vol. 04, pp. 118 | DOI |
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| Jung, G., Hanke, M. and Schmid, F. | Iterative Reconstruction of Memory Kernels | 2017 | Journal of Chemical Theory and Computation Vol. 13(6), pp. 2481-2488 | DOI URL |
| Lauck, M., Förster, C. and Heinze, K. | N-Cobaltocenium Amide as Reactive Nucleophilic Reagent for Donor–Acceptor Bimetallocenes | 2017 | Organometallics Vol. 36(24), pp. 4968-4978 | DOI URL |
| Lukáčová-Medvid’ová, M., Rosemeier, J., Spichtinger, P. and Wiebe, B. | IMEX Finite Volume Methods for Cloud Simulation | 2017 | Finite Volumes for Complex Applications VIII - Hyperbolic, Elliptic and Parabolic Problems, pp. 179-187 | DOI |
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| Qi, S. and Schmid, F. | Dynamic Density Functional Theories for Inhomogeneous Polymer Systems Compared to Brownian Dynamics Simulations | 2017 | Macromolecules Vol. 50(24), pp. 9831-9845 | DOI URL |
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| Settanni, G., Zhou, J., Suo, T., Schöttler, S., Landfester, K., Schmid, F. and Mailänder, V. | Protein corona composition of poly (ethylene glycol)-and poly (phosphoester)-coated nanoparticles correlates strongly with the amino acid composition of the protein surface | 2017 | Nanoscale Vol. 9(6), pp. 2138-2144 | |
| Settanni, G., Zhou, J. and Schmid, F. | Interactions between proteins and poly (ethylene-glycol) investigated using molecular dynamics simulations | 2017 | Vol. 921(1)Journal of Physics: Conference Series, pp. 012002 | |
| Siebert, J.T., Letz, J., Speck, T. and Virnau, P. | Phase behavior of active Brownian disks, spheres, and dimers | 2017 | Soft Matter Vol. 13(5), pp. 1020-1026 | DOI URL |
| Tüting, L., Ye, W., Settanni, G., Schmid, F., Wolf, B.A., Ahijado-Guzmán, R. and Sönnichsen, C. | Potassium Triggers a Reversible Specific Stiffness Transition of Polyethylene Glycol | 2017 | The Journal of Physical Chemistry C Vol. 121(40), pp. 22396-22402 | |
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| Andernach, L., Pusch, S., Weber, C., Schollmeyer, D., Münster-Müller, S. et al. | Absolute configuration of the synthetic cannabinoid MDMB-CHMICA with its chemical characteristics in illegal products | 2016 | Forensic Toxicology Vol. 34(2), pp. 344-352 | DOI URL |
| Back, O., Leppin, J., Förster, C. and Heinze, K. | Photochemistry and Redox Chemistry of an Unsymmetrical Bimetallic Copper(I) Complex | 2016 | Inorganic Chemistry Vol. 55(19), pp. 9653-9662 | DOI URL |
| Berkemeier, T., Steimer, S.S., Krieger, U.K., Peter, T., Pöschl, U. et al. | Ozone uptake on glassy, semi-solid and liquid organic matter and the role of reactive oxygen intermediates in atmospheric aerosol chemistry | 2016 | Physical Chemistry Chemical Physics Vol. 18(18), pp. 12662-12674 | DOI URL |
| Collaboration, A. | Search for gluinos in events with an isolated lepton, jets and missing transverse momentum at √𝑠 = 13 Te V with the ATLAS detector | 2016 | The European Physical Journal C Vol. 76(10), pp. 565 | DOI URL |
| Collaboration, A. | Search for new resonances in events with one lepton and missing transverse momentum in pp collisions at √𝑠= 13 TeV with the ATLAS detector | 2016 | Physics Letters B Vol. 762, pp. 334-352 | DOI URL |
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| Collaboration, A. | Identification of high transverse momentum top quarks in pp collisions at √𝑠=8 TeV with the ATLAS detector | 2016 | Journal of High Energy Physics Vol. 2016(6), pp. 93 | DOI URL |
| Decamp, J., Jünemann, J., Albert, M., Rizzi, M., Minguzzi, A. and Vignolo, P. | High-momentum tails as magnetic-structure probes for strongly correlated $\text{SU}\(\ensuremath{\textbackslash}kappa\)$ fermionic mixtures in one-dimensional traps | 2016 | Physical Review A Vol. 94(5), pp. 053614 | DOI URL |
| Feldmeyer, B., Mazur, J., Beros, S., Lerp, H., Binder, H. and Foitzik, S. | Gene expression patterns underlying parasite-induced alterations in host behaviour and life history | 2016 | Molecular Ecology Vol. 25(2), pp. 648-660 | DOI URL |
| Herrmann, S., Ochoa, G. and Rothlauf, F. | Communities of Local Optima as Funnels in Fitness Landscapes | 2016 | Proceedings of the Genetic and Evolutionary Computation Conference 2016, pp. 325-331 | DOI URL |
| Herrmann, S., Ochoa, G. and Rothlauf, F. | Coarse-Grained Barrier Trees of Fitness Landscapes | 2016 | Parallel Problem Solving from Nature – PPSN XIV, pp. 901-910 | DOI |
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| Khatib, R., Hasegawa, T., Sulpizi, M., Backus, E.H., Bonn, M. and Nagata, Y. | Molecular dynamics simulations of SFG librational modes spectra of water at the water--air interface | 2016 | The Journal of Physical Chemistry C Vol. 120(33), pp. 18665-18673 | |
| Kreitner, C. and Heinze, K. | The photochemistry of mono- and dinuclear cyclometalated bis(tridentate)ruthenium(II) complexes: dual excited state deactivation and dual emission | 2016 | Dalton Transactions Vol. 45(13), pp. 5640-5658 | DOI URL |
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| Parvaneh, L.S., Donadio, D. and Sulpizi, M. | Molecular mechanism of crystal growth inhibition at the calcium oxalate/water interfaces | 2016 | The Journal of Physical Chemistry C Vol. 120(8), pp. 4410-4417 | |
| Pušavec Kirar, E., Grošelj, U., Golobič, A., Požgan, F., Pusch, S., Weber, C. et al. | Absolute Configuration Determination of 2,3-Dihydro-1H,5H-pyrazolo[1,2-a]pyrazoles Using Chiroptical Methods at Different Wavelengths | 2016 | The Journal of Organic Chemistry Vol. 81(23), pp. 11802-11812 | DOI URL |
| Pusch, S., Schollmeyer, D. and Opatz, T. | A Light-Induced Vinylogous Nazarov-Type Cyclization | 2016 | Organic Letters Vol. 18(13), pp. 3043-3045 | DOI URL |
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| Singh, B., Erni, W., Krusche, B., Steinacher, M., Walford, N., Liu, B et al. | Feasibility studies of time-like proton electromagnetic form factors at overline {}\backslash{rm P}\ ANDA at FAIR | 2016 | The European Physical Journal A Vol. 52(10), pp. 325 | |
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| Aghamalyan, D., Cominotti, M., Rizzi, M., Rossini, D., Hekking, F., Minguzzi, A., Kwek, L.-C. and Amico, L. | Coherent superposition of current flows in an atomtronic quantum interference device | 2015 | New Journal of Physics Vol. 17(4), pp. 045023 | DOI URL |
| Baker, M.J. and others | The Coannihilation Codex | 2015 | JHEP Vol. 12, pp. 120 | DOI |
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| Brühl, C., Lelieveld, J., Tost, H., Höpfner, M. and Glatthor, N. | Stratospheric sulfur and its implications for radiative forcing simulated by the chemistry climate model EMAC | 2015 | Journal of Geophysical Research: Atmospheres Vol. 120(5), pp. 2103-2118 | DOI URL |
| González-Domínguez, J., Wienbrandt, L., Kässens, J.C., Ellinghaus, D., Schimmler, M. and Schmidt, B. | Parallelizing Epistasis Detection in GWAS on FPGA and GPU-Accelerated Computing Systems | 2015 | IEEE/ACM Transactions on Computational Biology and Bioinformatics Vol. 12(5), pp. 982-994 | DOI |
| González-Domínguez, J., Kässens, J.C., Wienbrandt, L. and Schmidt, B. | Large-scale genome-wide association studies on a GPU cluster using a CUDA-accelerated PGAS programming model: | 2015 | The International Journal of High Performance Computing Applications | DOI URL |
| González-Domínguez, J. and Schmidt, B. | GPU-accelerated exhaustive search for third-order epistatic interactions in case–control studies | 2015 | Journal of Computational Science Vol. 8, pp. 93-100 | DOI URL |
| Kässens, J.C., Wienbrandt, L., González-Domínguez, J., Schmidt, B. and Schimmler, M. | High-speed exhaustive 3-locus interaction epistasis analysis on FPGAs | 2015 | Journal of Computational Science Vol. 9, pp. 131-136 | DOI URL |
| Köhler, S., Schmid, F. and Settanni, G. | The internal dynamics of fibrinogen and its implications for coagulation and adsorption | 2015 | PLoS computational biology Vol. 11(9) | |
| Köhler, S., Schmid, F. and Settanni, G. | The Internal Dynamics of Fibrinogen and Its Implications for Coagulation and Adsorption | 2015 | PLOS Computational Biology Vol. 11(9), pp. e1004346 | DOI URL |
| Köhler, S., Schmid, F. and Settanni, G. | Molecular dynamics simulations of the initial adsorption stages of fibrinogen on mica and graphite surfaces | 2015 | Langmuir Vol. 31(48), pp. 13180-13190 | |
| Kreiter, S., Vormehr, M., van de Roemer, N., Diken, M., Löwer, M., Diekmann, J. et al. | Mutant MHC class II epitopes drive therapeutic immune responses to cancer | 2015 | Nature Vol. 520(7549), pp. 692-696 | DOI URL |
| Nizkaya, T.V., Asmolov, E.S., Zhou, J., Schmid, F. and Vinogradova, O.I. | Flows and mixing in channels with misaligned superhydrophobic walls | 2015 | Physical Review E Vol. 91(3), pp. 033020 | DOI URL |
| Ouwersloot, H.G., Pozzer, A., Steil, B., Tost, H. and Lelieveld, J. | Revision of the convective transport module CVTRANS 2.4 in the EMAC atmospheric chemistry–climate model | 2015 | Geoscientific Model Development Vol. 8(8), pp. 2435-2445 | DOI URL |
| Pozzer, A., de Meij, A., Yoon, J., Tost, H., Georgoulias, A.K. and Astitha, M. | AOD trends during 2001–2010 from observations and model simulations | 2015 | Atmospheric Chemistry and Physics Vol. 15(10), pp. 5521-5535 | DOI URL |
| Qi, S., Klushin, L.I., Skvortsov, A.M., Polotsky, A.A. and Schmid, F. | Stimuli-Responsive Brushes with Active Minority Components: Monte Carlo Study and Analytical Theory | 2015 | Macromolecules Vol. 48(11), pp. 3775-3787 | DOI URL |
| Richard, D. and Speck, T. | The role of shear in crystallization kinetics: From suppression to enhancement | 2015 | Scientific Reports Vol. 5(1), pp. 1-7 | DOI URL |
| Schappert, S. and Wirth, V. | Origin and Flow History of Air Parcels in Orographic Banner Clouds | 2015 | Journal of the Atmospheric Sciences Vol. 72(9), pp. 3389-3403 | DOI URL |
| Scholtalbers, J., Boegel, S., Bukur, T., Byl, M., Goerges, S., Sorn, P. et al. | TCLP: an online cancer cell line catalogue integrating HLA type, predicted neo-epitopes, virus and gene expression | 2015 | Genome Medicine Vol. 7(1), pp. 118 | DOI URL |
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| González-Domínguez, J., Schmidt, B., Kässens, J.C. and Wienbrandt, L. | Hybrid CPU/GPU Acceleration of Detection of 2-SNP Epistatic Interactions in GWAS | 2014 | Euro-Par 2014 Parallel Processing, pp. 680-691 | DOI |
| Hundt, C., Schmidt, B. and Schömer, E. | CUDA-Accelerated Alignment of Subsequences in Streamed Time Series Data | 2014 | 2014 43rd International Conference on Parallel Processing, pp. 10-19 | DOI |
| Hundt, C. | GEM: an elastic and translation-invariant similarity measure with automatic trend adjustment. | 2014 | , pp. 105-112 | DOI |
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| Klingmüller, K., Steil, B., Brühl, C., Tost, H. and Lelieveld, J. | Sensitivity of aerosol radiative effects to different mixing assumptions in the AEROPT 1.0 submodel of the EMAC atmospheric-chemistry–climate model | 2014 | Geoscientific Model Development Vol. 7(5), pp. 2503-2516 | DOI URL |
| Mann, G.W., Carslaw, K.S., Reddington, C.L., Pringle, K.J., et al. | Intercomparison and evaluation of global aerosol microphysical properties among AeroCom models of a range of complexity | 2014 | Atmospheric Chemistry and Physics Vol. 14(9), pp. 4679-4713 | DOI URL |
| Rybka, H. and Tost, H. | Uncertainties in future climate predictions due to convection parameterisations | 2014 | Atmospheric Chemistry and Physics Vol. 14(11), pp. 5561-5576 | DOI URL |
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| Wienbrandt, L., Kässens, J.C., González-Domínguez, J., Schmidt, B., Ellinghaus, D. and Schimmler, M. | FPGA-based Acceleration of Detecting Statistical Epistasis in GWAS | 2014 | Procedia Computer Science Vol. 29, pp. 220-230 | DOI URL |
| Andreani, T., Albrecht, S., Fontaine, J.-F. and Andrade-Navarro, M.A. | Computational identification of cell-specific variable regions in ChIP-seq data | Nucleic Acids Research | DOI URL | |
| Moll, J., Wang, C., Päpcke, A., Förster, C., Resch-Genger, U., Lochbrunner, S. and Heinze, K. | Green Light Activation of Push-Pull Ruthenium(II) Complexes | Chemistry – A European Journal Vol. n/a(n/a) | DOI URL | |
| Rummel, L., Kaus, B.J.P., Baumann, T.S., White, R.W. and Riel, N. | Insights into the compositional evolution of crustal magmatic systems from coupled petrological-geodynamical models | Journal of Petrology | DOI URL |