| Confined Water Determines Transport Properties of Guest Molecules in Narrow Pores A Phan, DR Cole, RG Weiß, J Dzubiella, A Striolo ACS nano 10 (8), 7646-7656, 2016 | 84 | 2016 |
| Glycan-protein interactions determine kinetics of N-glycan remodelling C Mathew, RG Weiß, C Giese, C Lin, ME Losfeld, R Glockshuber, ... bioRxiv, 2020.12. 01.406371, 2020 | 20 | 2020 |
| Curvature dependence of hydrophobic hydration dynamics RG Weiß, M Heyden, J Dzubiella Physical review letters 114 (18), 187802, 2015 | 20 | 2015 |
| Relative free-energy calculations for scaffold hopping-type transformations with an automated RE-EDS sampling procedure B Ries, K Normak, RG Weiß, S Rieder, EP Barros, C Champion, G König, ... Journal of computer-aided molecular design 36 (2), 117-130, 2022 | 14 | 2022 |
| N-Glycosylation Enhances Conformational Flexibility of Protein Disulfide Isomerase Revealed by Microsecond Molecular Dynamics and Markov State Modeling RG Weiß, ME Losfeld, M Aebi, S Riniker The Journal of Physical Chemistry B 125 (33), 9467-9479, 2021 | 14 | 2021 |
| Variational implicit-solvent predictions of the dry–wet transition pathways for ligand–receptor binding and unbinding kinetics S Zhou, RG Weiß, LT Cheng, J Dzubiella, JA McCammon, B Li Proceedings of the National Academy of Sciences 116 (30), 14989-14994, 2019 | 14 | 2019 |
| Principles for tuning hydrophobic ligand–receptor binding kinetics RG Weiß, P Setny, J Dzubiella Journal of chemical theory and computation 13 (6), 3012-3019, 2017 | 14 | 2017 |
| Numerically induced bursting in a set of coupled neuronal oscillators B Medetov, RG Weiß, ZZ Zhanabaev, MA Zaks Communications in Nonlinear Science and Numerical Simulation 20 (3), 1090-1098, 2015 | 14 | 2015 |
| Volume-scaled common nearest neighbor clustering algorithm with free-energy hierarchy RG Weiß, B Ries, S Wang, S Riniker The Journal of Chemical Physics 154 (8), 2021 | 9 | 2021 |
| Connecting dynamic reweighting Algorithms: Derivation of the dynamic reweighting family tree SM Linker, RG Weiß, S Riniker The Journal of Chemical Physics 153 (23), 2020 | 7 | 2020 |
| Solvent fluctuations induce non-Markovian kinetics in hydrophobic pocket-ligand binding RG Weiß, P Setny, J Dzubiella The Journal of Physical Chemistry B 120 (33), 8127-8136, 2016 | 7 | 2016 |
| Affinity, kinetics, and pathways of anisotropic ligands binding to hydrophobic model pockets RG Weiß, R Chudoba, P Setny, J Dzubiella The Journal of Chemical Physics 149 (9), 2018 | 3 | 2018 |
| Understanding Superlinear Speedup in Current HPC Architectures FCC Galeazzo, RG Weiß, S Lesnik, H Rusche, A Ruopp Preprints, 2024 | 1 | 2024 |
| Performance Comparison of CFD Microbenchmarks on Diverse HPC Architectures FCC Galeazzo, M Garcia-Gasulla, E Boella, J Pocurull, S Lesnik, ... Computers 13 (5), 115, 2024 | | 2024 |
| Coherent mesh representation for parallel I/O of unstructured polyhedral meshes RG Weiß, S Lesnik, FCC Galeazzo, A Ruopp, H Rusche The Journal of Supercomputing, 1-21, 2024 | | 2024 |
Joe DzubiellaProfessor of Theoretical Physics, University of Freiburg, Germany在 physik.uni-freiburg.de 的电子邮件经过验证
