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Journal of Medicinal Chemistry|October 7, 2008
Hit identification and binding mode predictions by rigorous free energy simulationsJulien Michel, Jonathan W EssexJournal of Computer-Aided Molecular Design|May 29, 2010
Prediction of protein-ligand binding affinity by free energy simulations: assumptions, pitfalls and expectationsJulien Michel, Jonathan W EssexMolecular Informatics|July 28, 2016
Rigorous Free Energy Calculations in Structure-Based Drug DesignJulien Michel, Nicolas Foloppe, Jonathan W EssexJournal of Physics. Condensed Matter : an Institute of Physics Journal|March 11, 2011
Coarse-grain modelling of DMPC and DOPC lipid bilayersMario Orsi, Julien Michel, Jonathan W EssexThe Journal of Physical Chemistry. B|January 1, 2008
Prediction of partition coefficients by multiscale hybrid atomic-level/coarse-grain simulationsJulien Michel, Mario Orsi, Jonathan W EssexJournal of Chemical Theory and Computation|December 3, 2015
Efficient Generalized Born Models for Monte Carlo SimulationsJulien Michel, Richard D Taylor, Jonathan W EssexJournal of Chemical Theory and Computation|December 3, 2015
Protein-Ligand Complexes: Computation of the Relative Free Energy of Different Scaffolds and Binding ModesJulien Michel, Marcel L Verdonk, Jonathan W EssexThe Journal of Physical Chemistry. B|April 12, 2011
A simple QM/MM approach for capturing polarization effects in protein-ligand binding free energy calculationsFrank R Beierlein, Julien Michel, Jonathan W EssexJournal of Computational Chemistry|September 14, 2004
The parameterization and validation of generalized born models using the pairwise descreening approximationJulien Michel, Richard D Taylor, Jonathan W EssexJournal of Medicinal Chemistry|December 8, 2006
Protein-ligand binding affinity predictions by implicit solvent simulations: a tool for lead optimization?Julien Michel, Marcel L Verdonk, Jonathan W EssexPageof 18