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Journal of Chemical Information and Modeling|August 12, 2014
Knowledge-based libraries for predicting the geometric preferences of druglike moleculesRobin Taylor, Jason Cole, Oliver Korb, et al.Journal of Chemical Information and Modeling|April 22, 2014
Kernel density estimation applied to bond length, bond angle, and torsion angle distributionsPatrick McCabe, Oliver Korb, Jason ColeJournal of Chemical Information and Modeling|October 4, 2011
The ensemble performance index: an improved measure for assessing ensemble pose prediction performanceOliver Korb, Patrick McCabe, Jason ColeJournal of Medicinal Chemistry|November 16, 2019
How Significant Are Unusual Protein-Ligand Interactions? Insights from Database MiningBernd Kuhn, Erik Gilberg, Robin Taylor, et al.Journal of Chemical Information and Modeling|February 10, 2018
Knowledge-Based Conformer Generation Using the Cambridge Structural DatabaseJason C Cole, Oliver Korb, Patrick McCabe, et al.Current Opinion in Structural Biology|March 31, 2023
Deep generative models for 3D molecular structureBenoit Baillif, Jason Cole, Patrick McCabe, et al.Journal of Chemical Information and Modeling|March 16, 2016
Knowledge-Based Optimization of Molecular Geometries Using Crystal StructuresJason C Cole, Colin R Groom, Oliver Korb, et al.Journal of Cheminformatics|December 22, 2023
Applying atomistic neural networks to bias conformer ensembles towards bioactive-like conformationsBenoit Baillif, Jason Cole, Ilenia Giangreco, et al.Journal of Medicinal Chemistry|January 9, 2016
Interactive and Versatile Navigation of Structural DatabasesOliver Korb, Bernd Kuhn, Jérôme Hert, et al.Journal of Computer-Aided Molecular Design|April 28, 2012
Development and validation of an improved algorithm for overlaying flexible moleculesRobin Taylor, Jason C Cole, David A Cosgrove, et al.Pageof 25