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Physical Review. E|July 17, 2021
Graph transformation and shortest paths algorithms for finite Markov chainsDaniel J Sharpe, David J WalesThe Journal of Chemical Physics|January 6, 2006
Global optimization and folding pathways of selected alpha-helical proteinsJoanne M Carr, David J WalesThe Journal of Chemical Physics|December 25, 2007
Geometry optimization for peptides and proteins: comparison of Cartesian and internal coordinatesElena F Koslover, David J WalesThe Journal of Physical Chemistry. A|March 1, 2014
Clusters of coarse-grained water moleculesJames D Farrell, David J WalesJournal of Chemical Theory and Computation|November 24, 2015
Quasi-Continuous Interpolation Scheme for Pathways between Distant ConfigurationsDavid J Wales, Joanne M CarrJournal of Chemical Theory and Computation|December 17, 2014
Superposition-Enhanced Estimation of Optimal Temperature Spacings for Parallel Tempering SimulationsAndrew J Ballard, David J WalesJournal of Chemical Theory and Computation|March 11, 2020
Defining, Calculating, and Converging Observables of a Kinetic Transition NetworkThomas D Swinburne, David J WalesThe Journal of Chemical Physics|July 23, 2004
An ab initio study of tunneling splittings in the water dimerYumiko Watanabe, Tetsuya Taketsugu, David J WalesThe Journal of Chemical Physics|April 8, 2025
Signatures of glassy dynamics in highly ordered lipid bilayers with emergence of soft dynamic channelsHarini SureshKumar, Sahithya S Iyer, Atreyee Banerjee, et al.The Journal of Chemical Physics|November 20, 2004
Effect of salt bridges on the energy landscape of a model proteinDavid J Wales, Peter E J DewsburyPageof 26