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Plos Computational Biology|August 25, 2005
Functional coverage of the human genome by existing structures, structural genomics targets, and homology modelsLei Xie, Philip E BourneBMC Bioinformatics|June 30, 2007
A robust and efficient algorithm for the shape description of protein structures and its application in predicting ligand binding sitesLei Xie, Philip E BourneProceedings of the National Academy of Sciences of the United States of America|April 4, 2008
Detecting evolutionary relationships across existing fold space, using sequence order-independent profile-profile alignmentsLei Xie, Philip E BournePlos Computational Biology|December 7, 2007
In silico elucidation of the molecular mechanism defining the adverse effect of selective estrogen receptor modulatorsLei Xie, Jian Wang, Philip E BourneBioinformatics (Oxford, England)|May 30, 2009
A unified statistical model to support local sequence order independent similarity searching for ligand-binding sites and its application to genome-based drug discoveryLei Xie, Li Xie, Philip E BourneCurrent Opinion in Structural Biology|February 5, 2011
Structure-based systems biology for analyzing off-target bindingLei Xie, Li Xie, Philip E BourneJournal of Chemical Information and Modeling|December 25, 2018
Structural Insights into Characterizing Binding Sites in Epidermal Growth Factor Receptor Kinase MutantsZheng Zhao, Lei Xie, Philip E BourneDrug Discovery Today|October 10, 2025
AI-powered programmable virtual humans toward human physiologically-based drug discoveryYou Wu, Philip E Bourne, Lei XiePlos One|June 20, 2017
Insights into the binding mode of MEK type-III inhibitors. A step towards discovering and designing allosteric kinase inhibitors across the human kinomeZheng Zhao, Lei Xie, Philip E BourneAnnual Review of Pharmacology and Toxicology|November 5, 2016
Harnessing Big Data for Systems PharmacologyLei Xie, Eli J Draizen, Philip E BournePageof 110