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Journal of Computational Chemistry|July 1, 2011
Molecular dynamics simulation reveals structural and thermodynamic features of kinase activation by cancer mutations within the epidermal growth factor receptorShunzhou Wan, Peter V CoveneyJournal of Chemical Information and Modeling|October 5, 2012
Regulation of JAK2 activation by Janus homology 2: evidence from molecular dynamics simulationsShunzhou Wan, Peter V CoveneyJournal of the Royal Society, Interface|January 14, 2011
Rapid and accurate ranking of binding affinities of epidermal growth factor receptor sequences with selected lung cancer drugsShunzhou Wan, Peter V CoveneyPhysical Chemistry Chemical Physics : PCCP|May 12, 2016
On the calculation of equilibrium thermodynamic properties from molecular dynamicsPeter V Coveney, Shunzhou WanJournal of Computational Chemistry|October 24, 2008
A comparative study of the COX-1 and COX-2 isozymes bound to lipid membranesShunzhou Wan, Peter V CoveneyMethods in Molecular Biology (Clifton, N.J.)|September 13, 2023
Introduction to Computational BiomedicineShunzhou Wan, Peter V CoveneyMethods in Molecular Biology (Clifton, N.J.)|May 3, 2008
Molecular dynamics simulations: bring biomolecular structures alive on a computerShunzhou Wan, Peter V Coveney, Darren R FlowerPhilosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|March 29, 2021
Uncertainty quantification in classical molecular dynamicsShunzhou Wan, Robert C Sinclair, Peter V CoveneyJournal of Immunology (Baltimore, Md. : 1950)|July 22, 2005
Molecular basis of peptide recognition by the TCR: affinity differences calculated using large scale computingShunzhou Wan, Peter V Coveney, Darren R FlowerJournal of Chemical Theory and Computation|December 16, 2024
Equilibrium and Nonequilibrium Ensemble Methods for Accurate, Precise and Reproducible Absolute Binding Free Energy CalculationsAgastya P Bhati, Shunzhou Wan, Peter V CoveneyPageof 18