18 citations · 19 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2022★ 18 cited
RE-EDS Using GAFF Topologies: Application to Relative Hydration Free-Energy Calculations for Large Sets of Molecules
Salome R. Rieder, Benjamin Ries, Kay Schaller +4
Free-energy differences between pairs of end-states can be estimated based on molecular dynamics (MD) simulations using standard pathway-dependent methods such as thermodynamic int…
physics.comp-ph2020★ 1 cited
Volume-Scaled Common Nearest Neighbor Clustering Algorithm with Free-Energy Hierarchy
R. Gregor Weiß, Benjamin Ries, Shuzhe Wang +1
The combination of Markov state modeling (MSM) and molecular dynamics (MD) simulations has been shown in recent years to be a valuable approach to unravel the slow processes of mol…