MDAnalysis: a Python package for the rapid analysis of molecular dynamics simulations RJ Gowers, M Linke, J Barnoud, TJE Reddy, MN Melo, SL Seyler, ... Los Alamos National Laboratory (LANL), Los Alamos, NM (United States), 2019 | 1410 | 2019 |
Dynamic cluster formation determines viscosity and diffusion in dense protein solutions S von Bülow, M Siggel, M Linke, G Hummer Proceedings of the National Academy of Sciences 116 (20), 9843-9852, 2019 | 158 | 2019 |
Proceedings of the 15th python in science conference RJ Gowers, M Linke, J Barnoud, TJE Reddy, MN Melo, SL Seyler, ... Austin, TX, 2016 | 71 | 2016 |
Rotational diffusion depends on box size in molecular dynamics simulations M Linke, J Köfinger, G Hummer The journal of physical chemistry letters 9 (11), 2874-2878, 2018 | 47 | 2018 |
Quantifying protein–protein interactions in molecular simulations A Jost Lopez, PK Quoika, M Linke, G Hummer, J Köfinger The Journal of Physical Chemistry B 124 (23), 4673-4685, 2020 | 41 | 2020 |
MDAnalysis: A Python Package for the Rapid Analysis of Molecular Dynamics Simulations; Austin, Texas, 2016 R Gowers, M Linke, J Barnoud, T Reddy, M Melo, S Seyler, J Domański, ... There is no corresponding record for this reference, 98-105, 0 | 31 | |
MDAnalysis: A Python Package for the Rapid Analysis of Molecular Dynamics Simulations, 2016 RJ Gowers, M Linke, J Barnoud, T Reddy, M Melo, S Seyler, J Domański, ... Los Alamos National Lab.(LANL), Los Alamos, NM (United States), 2020 | 25 | 2020 |
Fully anisotropic rotational diffusion tensor from molecular dynamics simulations M Linke, J Köfinger, G Hummer The Journal of Physical Chemistry B 122 (21), 5630-5639, 2018 | 25 | 2018 |
MDBenchmark: A toolkit to optimize the performance of molecular dynamics simulations M Gecht, M Siggel, M Linke, G Hummer, J Köfinger The Journal of Chemical Physics 153 (14), 2020 | 24 | 2020 |
PMDA-Parallel Molecular Dynamics Analysis. S Fan, M Linke, I Paraskevakos, RJ Gowers, M Gecht, O Beckstein SciPy, 134-, 2019 | 14 | 2019 |
datreant: persistent, Pythonic trees for heterogeneous data. DL Dotson, SL Seyler, M Linke, RJ Gowers, O Beckstein SciPy, 51-56, 2016 | 12 | 2016 |
Complexes++: Efficient and versatile coarse-grained simulations of protein complexes and their dense solutions M Linke, PK Quoika, B Bramas, J Köfinger, G Hummer The Journal of Chemical Physics 157 (20), 2022 | 3 | 2022 |
Methods for simulation and calculation of diffusion M Linke Dissertation, Frankfurt am Main, Johann Wolfgang Goethe-Universität, 2020, 2019 | | 2019 |
Analysis of protein dynamics with Markov models. M Linke Georg-August-Universität Göttingen, 2014 | | 2014 |