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Physical Chemistry Chemical Physics : PCCP|October 1, 2011
Accounting for non-optimal interactions in molecular recognition: a study of ion-π complexes using a QM/MM model with a dipole-polarisable MM regionQiantao Wang, Richard A BryceJournal of Chemical Theory and Computation|December 1, 2015
Improved Hydrogen Bonding at the NDDO-Type Semiempirical Quantum Mechanical/Molecular Mechanical InterfaceQiantao Wang, Richard A BryceJournal of Molecular Graphics & Modelling|August 31, 2010
An evaluation of the GLYCAM06 and MM3 force fields, and the PM3-D* molecular orbital method for modelling prototype carbohydrate-aromatic interactionsAnitha Ramraj, Rajesh K Raju, Qiantao Wang, et al.Methods in Molecular Biology (Clifton, N.J.)|February 5, 2020
What Next for Quantum Mechanics in Structure-Based Drug Discovery?Richard A BryceFuture Medicinal Chemistry|May 11, 2011
Physics-based scoring of protein-ligand interactions: explicit polarizability, quantum mechanics and free energiesRichard A BrycePhysical Chemistry Chemical Physics : PCCP|June 3, 2017
Approximate quantum chemical methods for modelling carbohydrate conformation and aromatic interactions: β-cyclodextrin and its adsorption on a single-layer graphene sheetPanichakorn Jaiyong, Richard A BryceJournal of Molecular Graphics & Modelling|August 16, 2005
Scoring binding affinity of multiple ligands using implicit solvent and a single molecular dynamics trajectory: application to influenza neuraminidasePascal Bonnet, Richard A BryceChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|February 28, 2025
Discriminating High from Low Energy Conformers of Druglike Molecules: An Assessment of Machine Learning Potentials and Quantum Chemical MethodsLinghan Kong, Richard A BryceJournal of Chemical Information and Modeling|October 15, 2019
Ring Puckering Landscapes of Glycosaminoglycan-Related Monosaccharides from Molecular Dynamics SimulationsIrfan Alibay, Richard A BryceExpert Opinion on Drug Discovery|January 8, 2013
The application of quantum mechanics in structure-based drug designDaniel Mucs, Richard A BrycePageof 14