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Shunzhou Wan

Showing results (31-40 of 48) with videos related to

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Advanced Theory and Simulations|September 16, 2021
Accuracy and Precision of Alchemical Relative Free Energy Predictions with and without Replica-ExchangeShunzhou Wan, Gary Tresadern, Laura Pérez-Benito, et al.
Wiley Interdisciplinary Reviews. Systems Biology and Medicine|August 18, 2012
From base pair to bedside: molecular simulation and the translation of genomics to personalized medicineDavid W Wright, Shunzhou Wan, Nour Shublaq, et al.
Journal of Chemical Information and Modeling|January 31, 2023
TIES 2.0: A Dual-Topology Open Source Relative Binding Free Energy Builder with Web PortalMateusz K Bieniek, Alexander D Wade, Agastya P Bhati, et al.
Scientific Reports|April 14, 2019
Application of ESMACS binding free energy protocols to diverse datasets: Bromodomain-containing protein 4David W Wright, Shunzhou Wan, Christophe Meyer, et al.
Immunome Research|November 12, 2010
T-cell epitope prediction and immune complex simulation using molecular dynamics: state of the art and persisting challengesDarren R Flower, Kanchan Phadwal, Isabel K Macdonald, et al.
Scientific Reports|June 30, 2021
The effect of protein mutations on drug binding suggests ensuing personalised drug selectionShunzhou Wan, Deepak Kumar, Valentin Ilyin, et al.
Biophysical Journal|March 12, 2013
Conformational effects on the pro-S hydrogen abstraction reaction in cyclooxygenase-1: an integrated QM/MM and MD studyChristo Z Christov, Alessio Lodola, Tatyana G Karabencheva-Christova, et al.
Journal of Chemical Information and Modeling|March 21, 2017
Evaluation and Characterization of Trk Kinase Inhibitors for the Treatment of Pain: Reliable Binding Affinity Predictions from Theory and ComputationShunzhou Wan, Agastya P Bhati, Sarah Skerratt, et al.
Advanced Theory and Simulations|September 23, 2021
Application of the ESMACS Binding Free Energy Protocol to a Multi-Binding Site Lactate Dehydogenase A Ligand DatasetDavid W Wright, Fouad Husseini, Shunzhou Wan, et al.
Journal of Chemical Theory and Computation|December 23, 2016
Rapid and Reliable Binding Affinity Prediction of Bromodomain Inhibitors: A Computational StudyShunzhou Wan, Agastya P Bhati, Stefan J Zasada, et al.
Pageof 5

Showing results (31-40 of 48) with videos related to

Sort By:
Pageof 5
Advanced Theory and Simulations|September 16, 2021
Accuracy and Precision of Alchemical Relative Free Energy Predictions with and without Replica-ExchangeShunzhou Wan, Gary Tresadern, Laura Pérez-Benito, et al.
Wiley Interdisciplinary Reviews. Systems Biology and Medicine|August 18, 2012
From base pair to bedside: molecular simulation and the translation of genomics to personalized medicineDavid W Wright, Shunzhou Wan, Nour Shublaq, et al.
Journal of Chemical Information and Modeling|January 31, 2023
TIES 2.0: A Dual-Topology Open Source Relative Binding Free Energy Builder with Web PortalMateusz K Bieniek, Alexander D Wade, Agastya P Bhati, et al.
Scientific Reports|April 14, 2019
Application of ESMACS binding free energy protocols to diverse datasets: Bromodomain-containing protein 4David W Wright, Shunzhou Wan, Christophe Meyer, et al.
Immunome Research|November 12, 2010
T-cell epitope prediction and immune complex simulation using molecular dynamics: state of the art and persisting challengesDarren R Flower, Kanchan Phadwal, Isabel K Macdonald, et al.
Scientific Reports|June 30, 2021
The effect of protein mutations on drug binding suggests ensuing personalised drug selectionShunzhou Wan, Deepak Kumar, Valentin Ilyin, et al.
Biophysical Journal|March 12, 2013
Conformational effects on the pro-S hydrogen abstraction reaction in cyclooxygenase-1: an integrated QM/MM and MD studyChristo Z Christov, Alessio Lodola, Tatyana G Karabencheva-Christova, et al.
Journal of Chemical Information and Modeling|March 21, 2017
Evaluation and Characterization of Trk Kinase Inhibitors for the Treatment of Pain: Reliable Binding Affinity Predictions from Theory and ComputationShunzhou Wan, Agastya P Bhati, Sarah Skerratt, et al.
Advanced Theory and Simulations|September 23, 2021
Application of the ESMACS Binding Free Energy Protocol to a Multi-Binding Site Lactate Dehydogenase A Ligand DatasetDavid W Wright, Fouad Husseini, Shunzhou Wan, et al.
Journal of Chemical Theory and Computation|December 23, 2016
Rapid and Reliable Binding Affinity Prediction of Bromodomain Inhibitors: A Computational StudyShunzhou Wan, Agastya P Bhati, Stefan J Zasada, et al.
Pageof 5