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The Journal of Physical Chemistry. B|February 6, 2008
Pathways for conformational change in nitrogen regulatory protein C from discrete path samplingMey Khalili, David J WalesJournal of Chemical Theory and Computation|February 9, 2017
Transforming the Energy Landscape of a Coiled-Coil Peptide via Point MutationsKonstantin Röder, David J WalesJournal of Chemical Theory and Computation|July 3, 2018
Predicting Pathways between Distant Configurations for BiomoleculesKonstantin Röder, David J WalesPhysical Chemistry Chemical Physics : PCCP|March 13, 2009
Simulations of rigid bodies in an angle-axis frameworkDwaipayan Chakrabarti, David J WalesThe Journal of Physical Chemistry. B|November 16, 2018
Intrinsically Disordered Landscapes for Human CD4 Receptor PeptideJerelle A Joseph, David J WalesThe Journal of Chemical Physics|October 16, 2021
Nearly reducible finite Markov chains: Theory and algorithmsDaniel J Sharpe, David J WalesThe Journal of Chemical Physics|July 23, 2004
New results for phase transitions from catastrophe theoryTetyana V Bogdan, David J WalesThe Journal of Chemical Physics|July 23, 2004
A doubly nudged elastic band method for finding transition statesSemen A Trygubenko, David J WalesThe Journal of Physical Chemistry. B|October 20, 2006
Potential energy and free energy landscapesDavid J Wales, Tetyana V BogdanThe Journal of Chemical Physics|June 5, 2023
Stable and scalable computation of state visitation probabilities in finite Markov chainsDaniel J Sharpe, David J WalesPageof 26