Path Sampling Simulations Reveal How the Q61L Mutation Alters the Dynamics of KRas

por Roet, Sander, Hooft, Ferry, Bolhuis, Peter G., Swenson, David W. H., Vreede, Jocelyne
Publicado 2022

Atomistic insight into the kinetic pathways for Watson–Crick to Hoogsteen transitions in DNA

por Vreede, Jocelyne, Pérez de Alba Ortíz, Alberto, Bolhuis, Peter G, Swenson, David W H
Publicado 2019

OpenPathSampling: A Python Framework for Path Sampling Simulations. 2. Building and Customizing Path Ensembles and Sample Schemes

por Swenson, David W. H., Prinz, Jan-Hendrik, Noe, Frank, Chodera, John D., Bolhuis, Peter G.
Publicado 2018

OpenPathSampling: A Python Framework for Path Sampling Simulations. 1. Basics

por Swenson, David W. H., Prinz, Jan-Hendrik, Noe, Frank, Chodera, John D., Bolhuis, Peter G.
Publicado 2018