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Journal of Computer-Aided Molecular Design
|
December 22, 2011
Does your model weigh the same as a duck?
Ajay N Jain, Ann E Cleves
Journal of Computer-Aided Molecular Design
|
May 6, 2015
Knowledge-guided docking: accurate prospective prediction of bound configurations of novel ligands using Surflex-Dock
Ann E Cleves, Ajay N Jain
Journal of Computer-Aided Molecular Design
|
March 15, 2017
ForceGen 3D structure and conformer generation: from small lead-like molecules to macrocyclic drugs
Ann E Cleves, Ajay N Jain
Journal of Computer-Aided Molecular Design
|
February 11, 2016
Extrapolative prediction using physically-based QSAR
Ann E Cleves, Ajay N Jain
Journal of Computer-Aided Molecular Design
|
June 24, 2018
Quantitative surface field analysis: learning causal models to predict ligand binding affinity and pose
Ann E Cleves, Ajay N Jain
Journal of Computer-Aided Molecular Design
|
December 13, 2007
Effects of inductive bias on computational evaluations of ligand-based modeling and on drug discovery
Ann E Cleves, Ajay N Jain
Journal of Medicinal Chemistry
|
May 12, 2006
Robust ligand-based modeling of the biological targets of known drugs
Ann E Cleves, Ajay N Jain
Journal of Chemical Information and Modeling
|
April 10, 2020
Structure- and Ligand-Based Virtual Screening on DUD-E<sup>+</sup>: Performance Dependence on Approximations to the Binding Pocket
Ann E Cleves, Ajay N Jain
Journal of Computer-Aided Molecular Design
|
November 28, 2014
Chemical and protein structural basis for biological crosstalk between PPARα and COX enzymes
Ann E Cleves, Ajay N Jain
Journal of Computer-Aided Molecular Design
|
October 16, 2024
Structure-based pose prediction: Non-cognate docking extended to macrocyclic ligands
Ann E Cleves, Himani Tandon, Ajay N Jain
Page
of 3
Search research articles
Search
Showing results (1-10 of 28) with videos related to
Sort By:
Page
of 3
Journal of Computer-Aided Molecular Design
|
December 22, 2011
Does your model weigh the same as a duck?
Ajay N Jain, Ann E Cleves
Journal of Computer-Aided Molecular Design
|
May 6, 2015
Knowledge-guided docking: accurate prospective prediction of bound configurations of novel ligands using Surflex-Dock
Ann E Cleves, Ajay N Jain
Journal of Computer-Aided Molecular Design
|
March 15, 2017
ForceGen 3D structure and conformer generation: from small lead-like molecules to macrocyclic drugs
Ann E Cleves, Ajay N Jain
Journal of Computer-Aided Molecular Design
|
February 11, 2016
Extrapolative prediction using physically-based QSAR
Ann E Cleves, Ajay N Jain
Journal of Computer-Aided Molecular Design
|
June 24, 2018
Quantitative surface field analysis: learning causal models to predict ligand binding affinity and pose
Ann E Cleves, Ajay N Jain
Journal of Computer-Aided Molecular Design
|
December 13, 2007
Effects of inductive bias on computational evaluations of ligand-based modeling and on drug discovery
Ann E Cleves, Ajay N Jain
Journal of Medicinal Chemistry
|
May 12, 2006
Robust ligand-based modeling of the biological targets of known drugs
Ann E Cleves, Ajay N Jain
Journal of Chemical Information and Modeling
|
April 10, 2020
Structure- and Ligand-Based Virtual Screening on DUD-E<sup>+</sup>: Performance Dependence on Approximations to the Binding Pocket
Ann E Cleves, Ajay N Jain
Journal of Computer-Aided Molecular Design
|
November 28, 2014
Chemical and protein structural basis for biological crosstalk between PPARα and COX enzymes
Ann E Cleves, Ajay N Jain
Journal of Computer-Aided Molecular Design
|
October 16, 2024
Structure-based pose prediction: Non-cognate docking extended to macrocyclic ligands
Ann E Cleves, Himani Tandon, Ajay N Jain
Page
of 3