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Shunzhou Wan

Showing results (11-20 of 48) with videos related to

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Journal 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 Flower
Journal 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 Coveney
Biochemistry|December 7, 2007
Insights into a mutation-assisted lateral drug escape mechanism from the HIV-1 protease active siteS Kashif Sadiq, Shunzhou Wan, Peter V Coveney
Journal of Chemical Theory and Computation|December 29, 2018
Ensemble-Based Replica Exchange Alchemical Free Energy Methods: The Effect of Protein Mutations on Inhibitor BindingAgastya P Bhati, Shunzhou Wan, Peter V Coveney
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|August 16, 2005
Peptide recognition by the T cell receptor: comparison of binding free energies from thermodynamic integration, Poisson-Boltzmann and linear interaction energy approximationsShunzhou Wan, Peter V Coveney, Darren R Flower
Molecular Cancer Therapeutics|August 7, 2012
Mechanism of drug efficacy within the EGF receptor revealed by microsecond molecular dynamics simulationShunzhou Wan, David W Wright, Peter V Coveney
Molecular Immunology|November 6, 2007
Toward an atomistic understanding of the immune synapse: large-scale molecular dynamics simulation of a membrane-embedded TCR-pMHC-CD4 complexShunzhou Wan, Darren R Flower, Peter V Coveney
Journal of Chemical Theory and Computation|October 20, 2023
Comparison of Equilibrium and Nonequilibrium Approaches for Relative Binding Free Energy PredictionsShunzhou Wan, Agastya P Bhati, Peter V Coveney
Journal of Chemical Theory and Computation|July 19, 2021
Ensembles Are Required to Handle Aleatoric and Parametric Uncertainty in Molecular Dynamics SimulationMaxime Vassaux, Shunzhou Wan, Wouter Edeling, et al.
Frontiers in Immunology|July 26, 2017
The Role of Multiscale Protein Dynamics in Antigen Presentation and T Lymphocyte RecognitionR Charlotte Eccleston, Shunzhou Wan, Neil Dalchau, et al.
Pageof 5

Showing results (11-20 of 48) with videos related to

Sort By:
Pageof 5
Journal 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 Flower
Journal 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 Coveney
Biochemistry|December 7, 2007
Insights into a mutation-assisted lateral drug escape mechanism from the HIV-1 protease active siteS Kashif Sadiq, Shunzhou Wan, Peter V Coveney
Journal of Chemical Theory and Computation|December 29, 2018
Ensemble-Based Replica Exchange Alchemical Free Energy Methods: The Effect of Protein Mutations on Inhibitor BindingAgastya P Bhati, Shunzhou Wan, Peter V Coveney
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|August 16, 2005
Peptide recognition by the T cell receptor: comparison of binding free energies from thermodynamic integration, Poisson-Boltzmann and linear interaction energy approximationsShunzhou Wan, Peter V Coveney, Darren R Flower
Molecular Cancer Therapeutics|August 7, 2012
Mechanism of drug efficacy within the EGF receptor revealed by microsecond molecular dynamics simulationShunzhou Wan, David W Wright, Peter V Coveney
Molecular Immunology|November 6, 2007
Toward an atomistic understanding of the immune synapse: large-scale molecular dynamics simulation of a membrane-embedded TCR-pMHC-CD4 complexShunzhou Wan, Darren R Flower, Peter V Coveney
Journal of Chemical Theory and Computation|October 20, 2023
Comparison of Equilibrium and Nonequilibrium Approaches for Relative Binding Free Energy PredictionsShunzhou Wan, Agastya P Bhati, Peter V Coveney
Journal of Chemical Theory and Computation|July 19, 2021
Ensembles Are Required to Handle Aleatoric and Parametric Uncertainty in Molecular Dynamics SimulationMaxime Vassaux, Shunzhou Wan, Wouter Edeling, et al.
Frontiers in Immunology|July 26, 2017
The Role of Multiscale Protein Dynamics in Antigen Presentation and T Lymphocyte RecognitionR Charlotte Eccleston, Shunzhou Wan, Neil Dalchau, et al.
Pageof 5