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Chakrapani Kalyanaraman

Showing results (1-10 of 38) with videos related to

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Biochemistry|April 27, 2010
Studying enzyme-substrate specificity in silico: a case study of the Escherichia coli glycolysis pathwayChakrapani Kalyanaraman, Matthew P Jacobson
Journal of Computer-Aided Molecular Design|November 9, 2007
An atomistic model of passive membrane permeability: application to a series of FDA approved drugsChakrapani Kalyanaraman, Matthew P Jacobson
Biochemistry|February 9, 2005
Virtual screening against highly charged active sites: identifying substrates of alpha-beta barrel enzymesChakrapani Kalyanaraman, Katarzyna Bernacki, Matthew P Jacobson
Journal of Biomolecular Screening|September 20, 2005
Virtual ligand screening against Escherichia coli dihydrofolate reductase: improving docking enrichment using physics-based methodsKatarzyna Bernacki, Chakrapani Kalyanaraman, Matthew P Jacobson
Physical Chemistry Chemical Physics : PCCP|January 5, 2007
Molecular mechanics methods for predicting protein-ligand bindingNiu Huang, Chakrapani Kalyanaraman, Katarzyna Bernacki, et al.
Trends in Biochemical Sciences|July 7, 2014
Leveraging structure for enzyme function prediction: methods, opportunities, and challengesMatthew P Jacobson, Chakrapani Kalyanaraman, Suwen Zhao, et al.
Journal of Chemical Information and Modeling|January 24, 2006
Physics-based scoring of protein-ligand complexes: enrichment of known inhibitors in large-scale virtual screeningNiu Huang, Chakrapani Kalyanaraman, John J Irwin, et al.
Proteins|April 22, 2009
Automated site preparation in physics-based rescoring of receptor ligand complexesChaya S Rapp, Cheryl Schonbrun, Matthew P Jacobson, et al.
Journal of Chemical Information and Modeling|July 26, 2011
A molecular mechanics approach to modeling protein-ligand interactions: relative binding affinities in congeneric seriesChaya Rapp, Chakrapani Kalyanaraman, Aviva Schiffmiller, et al.
Biochemistry|August 2, 2013
Predicting enzyme-substrate specificity with QM/MM methods: a case study of the stereospecificity of (D)-glucarate dehydrataseBoxue Tian, Frank Wallrapp, Chakrapani Kalyanaraman, et al.
Pageof 4

Showing results (1-10 of 38) with videos related to

Sort By:
Pageof 4
Biochemistry|April 27, 2010
Studying enzyme-substrate specificity in silico: a case study of the Escherichia coli glycolysis pathwayChakrapani Kalyanaraman, Matthew P Jacobson
Journal of Computer-Aided Molecular Design|November 9, 2007
An atomistic model of passive membrane permeability: application to a series of FDA approved drugsChakrapani Kalyanaraman, Matthew P Jacobson
Biochemistry|February 9, 2005
Virtual screening against highly charged active sites: identifying substrates of alpha-beta barrel enzymesChakrapani Kalyanaraman, Katarzyna Bernacki, Matthew P Jacobson
Journal of Biomolecular Screening|September 20, 2005
Virtual ligand screening against Escherichia coli dihydrofolate reductase: improving docking enrichment using physics-based methodsKatarzyna Bernacki, Chakrapani Kalyanaraman, Matthew P Jacobson
Physical Chemistry Chemical Physics : PCCP|January 5, 2007
Molecular mechanics methods for predicting protein-ligand bindingNiu Huang, Chakrapani Kalyanaraman, Katarzyna Bernacki, et al.
Trends in Biochemical Sciences|July 7, 2014
Leveraging structure for enzyme function prediction: methods, opportunities, and challengesMatthew P Jacobson, Chakrapani Kalyanaraman, Suwen Zhao, et al.
Journal of Chemical Information and Modeling|January 24, 2006
Physics-based scoring of protein-ligand complexes: enrichment of known inhibitors in large-scale virtual screeningNiu Huang, Chakrapani Kalyanaraman, John J Irwin, et al.
Proteins|April 22, 2009
Automated site preparation in physics-based rescoring of receptor ligand complexesChaya S Rapp, Cheryl Schonbrun, Matthew P Jacobson, et al.
Journal of Chemical Information and Modeling|July 26, 2011
A molecular mechanics approach to modeling protein-ligand interactions: relative binding affinities in congeneric seriesChaya Rapp, Chakrapani Kalyanaraman, Aviva Schiffmiller, et al.
Biochemistry|August 2, 2013
Predicting enzyme-substrate specificity with QM/MM methods: a case study of the stereospecificity of (D)-glucarate dehydrataseBoxue Tian, Frank Wallrapp, Chakrapani Kalyanaraman, et al.
Pageof 4