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Journal of Computer-Aided Molecular Design
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April 20, 2010
Chemical space sampling by different scoring functions and crystal structures
Natasja Brooijmans, Christine Humblet
Chemical Biology & Drug Design
|
October 21, 2010
Chemical space sampling in virtual screening by different crystal structures
Natasja Brooijmans, Christine Humblet
Journal of Medicinal Chemistry
|
October 16, 2009
Escape from flatland: increasing saturation as an approach to improving clinical success
Frank Lovering, Jack Bikker, Christine Humblet
Journal of Computer-Aided Molecular Design
|
November 6, 2010
Biased retrieval of chemical series in receptor-based virtual screening
Natasja Brooijmans, Jason B Cross, Christine Humblet
Journal of Chemical Information and Modeling
|
May 10, 2008
Investigation of MM-PBSA rescoring of docking poses
David C Thompson, Christine Humblet, Diane Joseph-McCarthy
Journal of Computer-Aided Molecular Design
|
October 13, 2009
Computation of 3D queries for ROCS based virtual screens
Gregory J Tawa, J Christian Baber, Christine Humblet
Proteins
|
June 15, 2010
Computational alanine scanning with linear scaling semiempirical quantum mechanical methods
David J Diller, Christine Humblet, Xiaohua Zhang, et al.
Journal of Computer-Aided Molecular Design
|
September 29, 2006
RNA unrestrained molecular dynamics ensemble improves agreement with experimental NMR data compared to single static structure: a test case
Robert A Beckman, David Moreland, Shirley Louise-May, et al.
Proteins
|
September 30, 2009
Modeling G protein-coupled receptors for structure-based drug discovery using low-frequency normal modes for refinement of homology models: application to H3 antagonists
Brajesh K Rai, Gregory J Tawa, Alan H Katz, et al.
Journal of Chemical Information and Computer Sciences
|
March 26, 2003
CLIP: similarity searching of 3D databases using clique detection
Nicholas Rhodes, Peter Willett, Alain Calvet, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 25) with videos related to
Sort By:
Page
of 3
Journal of Computer-Aided Molecular Design
|
April 20, 2010
Chemical space sampling by different scoring functions and crystal structures
Natasja Brooijmans, Christine Humblet
Chemical Biology & Drug Design
|
October 21, 2010
Chemical space sampling in virtual screening by different crystal structures
Natasja Brooijmans, Christine Humblet
Journal of Medicinal Chemistry
|
October 16, 2009
Escape from flatland: increasing saturation as an approach to improving clinical success
Frank Lovering, Jack Bikker, Christine Humblet
Journal of Computer-Aided Molecular Design
|
November 6, 2010
Biased retrieval of chemical series in receptor-based virtual screening
Natasja Brooijmans, Jason B Cross, Christine Humblet
Journal of Chemical Information and Modeling
|
May 10, 2008
Investigation of MM-PBSA rescoring of docking poses
David C Thompson, Christine Humblet, Diane Joseph-McCarthy
Journal of Computer-Aided Molecular Design
|
October 13, 2009
Computation of 3D queries for ROCS based virtual screens
Gregory J Tawa, J Christian Baber, Christine Humblet
Proteins
|
June 15, 2010
Computational alanine scanning with linear scaling semiempirical quantum mechanical methods
David J Diller, Christine Humblet, Xiaohua Zhang, et al.
Journal of Computer-Aided Molecular Design
|
September 29, 2006
RNA unrestrained molecular dynamics ensemble improves agreement with experimental NMR data compared to single static structure: a test case
Robert A Beckman, David Moreland, Shirley Louise-May, et al.
Proteins
|
September 30, 2009
Modeling G protein-coupled receptors for structure-based drug discovery using low-frequency normal modes for refinement of homology models: application to H3 antagonists
Brajesh K Rai, Gregory J Tawa, Alan H Katz, et al.
Journal of Chemical Information and Computer Sciences
|
March 26, 2003
CLIP: similarity searching of 3D databases using clique detection
Nicholas Rhodes, Peter Willett, Alain Calvet, et al.
Page
of 3