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Journal of Chemical Theory and Computation|September 10, 2024
Automated Adaptive Absolute Binding Free Energy CalculationsFinlay Clark, Graeme R Robb, Daniel J Cole, et al.Journal of Chemical Theory and Computation|December 23, 2024
Robust Automated Truncation Point Selection for Molecular SimulationsFinlay Clark, Daniel J Cole, Julien MichelJournal of Chemical Theory and Computation|June 7, 2023
Comparison of Receptor-Ligand Restraint Schemes for Alchemical Absolute Binding Free Energy CalculationsFinlay Clark, Graeme Robb, Daniel J Cole, et al.Journal of Chemical Theory and Computation|November 10, 2025
Enhancing Electrostatic Embedding for ML/MM Free Energy CalculationsJoão Morado, Kirill Zinovjev, Lester O Hedges, et al.Journal of Chemical Information and Modeling|April 22, 2021
Implementation of the QUBE Force Field in SOMD for High-Throughput Alchemical Free-Energy CalculationsLauren Nelson, Sofia Bariami, Chris Ringrose, et al.Drug Discovery Today|September 18, 2012
A chemistry wiki to facilitate and enhance compound design in drug discoveryGraeme R Robb, Darren McKerrecher, Nicholas J Newcombe, et al.Physical Chemistry Chemical Physics : PCCP|January 29, 2014
Current and emerging opportunities for molecular simulations in structure-based drug designJulien MichelPlos One|July 21, 2012
The impact of small molecule binding on the energy landscape of the intrinsically disordered protein C-mycJulien Michel, Rémi CuchilloBiochemical Society Transactions|September 20, 2012
Mechanisms of small-molecule binding to intrinsically disordered proteinsRémi Cuchillo, Julien MichelJournal of Medicinal Chemistry|October 7, 2008
Hit identification and binding mode predictions by rigorous free energy simulationsJulien Michel, Jonathan W EssexPageof 18