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The Journal of Physical Chemistry. B|March 20, 2012
Exploring protein flexibility: incorporating structural ensembles from crystal structures and simulation into virtual screening protocolsDavid J Osguthorpe, Woody Sherman, Arnold T HaglerProteins|December 30, 2003
Sequence and structural analysis of cellular retinoic acid-binding proteins reveals a network of conserved hydrophobic interactionsKannan Gunasekaran, Arnold T Hagler, Lila M GieraschChemical Biology & Drug Design|April 21, 2012
Generation of receptor structural ensembles for virtual screening using binding site shape analysis and clusteringDavid J Osguthorpe, Woody Sherman, Arnold T HaglerTrends in Biochemical Sciences|October 9, 2018
Diversity of Quaternary Structures Regulates Nuclear Receptor ActivitiesPablo Fuentes-Prior, Ana Rojas, Arnold T Hagler, et al.Current Drug Targets|November 3, 2015
Chemical Structure Similarity Search for Ligand-based Virtual Screening: Methods and Computational ResourcesXin Yan, Chenzhong Liao, Zhihong Liu, et al.Molecular and Cellular Endocrinology|June 10, 2014
Allosteric mechanisms of nuclear receptors: insights from computational simulationsJonathan A G Mackinnon, Nerea Gallastegui, David J Osguthorpe, et al.Molecular Diversity|April 16, 2013
Optimizing lactose hydrolysis by computer-guided modification of the catalytic site of a wild-type enzymeYi-Ning Dong, Ling Wang, Qiong Gu, et al.Journal of Computational Chemistry|July 13, 2002
Derivation of class II force fields. VIII. Derivation of a general quantum mechanical force field for organic compoundsCarl S. Ewig, Rajiv Berry, Uri Dinur, et al.Pageof 1