OpenPathSampling: A Python Framework for Path Sampling Simulations. 1. Basics von Swenson, David W. H, Prinz, Jan-Hendrik, Noe, Frank, Chodera, John D, Bolhuis, Peter G

Volltext

Transition Path Sampling as Markov Chain Monte Carlo of Trajectories: Recent Algorithms, Software, Applications, and Future Outlook von Bolhuis, Peter G., Swenson, David W. H.

Volltext

Path Sampling Simulations Reveal How the Q61L Mutation Alters the Dynamics of KRas von Roet, Sander, Hooft, Ferry, Bolhuis, Peter G., Swenson, David W. H., Vreede, Jocelyne

Volltext

Atomistic insight into the kinetic pathways for Watson–Crick to Hoogsteen transitions in DNA von Vreede, Jocelyne, Pérez de Alba Ortíz, Alberto, Bolhuis, Peter G, Swenson, David W H

Volltext

Kartograf: A Geometrically Accurate Atom Mapper for Hybrid-Topology Relative Free Energy Calculations von Ries, Benjamin, Alibay, Irfan, Swenson, David W. H., Baumann, Hannah M., Henry, Michael M., Eastwood, James R. B., Gowers, Richard J.

Volltext

A replica exchange transition interface sampling method with multiple interface sets for investigating networks of rare events von Swenson, David W H, Bolhuis, Peter G

Volltext

Path Sampling Simulations of the Mechanisms and Rates of Transitions between Watson-Crick and Hoogsteen Base Pairing in DNA von Vreede, Jocelyne, Bolhuis, Peter G., Swenson, David W.H.

Volltext

The opposing effects of isotropic and anisotropic attraction on association kinetics of proteins and colloids von Newton, Arthur C., Kools, Ramses, Swenson, David W. H., Bolhuis, Peter G.

Volltext

Clustering of molecular hydrogen around benzene von Swenson, David W.H., Jaeger, Heather M., Dykstra, Clifford E.

Volltext

Predicting the Mechanism and Kinetics of the Watson-Crick to Hoogsteen Base Pairing Transition von Vreede, Jocelyne, Bolhuis, Peter G., Swenson, David W.H.

Volltext

Application of a semiclassical model for the second-quantized many-electron Hamiltonian to nonequilibrium quantum transport: The resonant level model von Swenson, David W. H., Levy, Tal, Cohen, Guy, Rabani, Eran, Miller, William H.

Volltext

A Cartesian quasi-classical model to nonequilibrium quantum transport: the Anderson impurity model von Li, Bin, Levy, Tal J, Swenson, David W H, Rabani, Eran, Miller, William H

Volltext

Remarkable Features in the Interactions of Quadrupolar Molecules von Jaeger, Heather M, Swenson, David W. H, Dykstra, Clifford E

Volltext