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Journal of Medicinal Chemistry
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July 8, 2005
Large-scale validation of a quantum mechanics based scoring function: predicting the binding affinity and the binding mode of a diverse set of protein-ligand complexes
Kaushik Raha, Kenneth M Merz
Journal of the American Chemical Society
|
January 30, 2004
A quantum mechanics-based scoring function: study of zinc ion-mediated ligand binding
Kaushik Raha, Kenneth M Merz
Journal of the American Chemical Society
|
September 16, 2004
Pose scoring by NMR
Bing Wang, Kaushik Raha, Kenneth M Merz
Current Opinion in Drug Discovery & Development
|
May 30, 2006
Quantum mechanics in structure-based drug design
Martin B Peters, Kaushik Raha, Kenneth M Merz
Protein Science : a Publication of the Protein Society
|
June 26, 2009
Blind docking of pharmaceutically relevant compounds using RosettaLigand
Ian W Davis, Kaushik Raha, Martha S Head, et al.
Drug Discovery Today
|
September 11, 2007
The role of quantum mechanics in structure-based drug design
Kaushik Raha, Martin B Peters, Bing Wang, et al.
Journal of the American Chemical Society
|
May 5, 2005
Pairwise decomposition of residue interaction energies using semiempirical quantum mechanical methods in studies of protein-ligand interaction
Kaushik Raha, Arjan J van der Vaart, Kevin E Riley, et al.
Current Topics in Medicinal Chemistry
|
May 3, 2017
A Perspective on Water Site Prediction Methods for Structure Based Drug Design
Alan P Graves, Ian D Wall, Colin M Edge, et al.
ACS Medicinal Chemistry Letters
|
June 6, 2014
[3a,4]-Dihydropyrazolo[1,5a]pyrimidines: Novel, Potent, and Selective Phosphatidylinositol-3-kinase β Inhibitors
Hongyi Yu, Michael L Moore, Karl Erhard, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
May 17, 2017
Thiophene antibacterials that allosterically stabilize DNA-cleavage complexes with DNA gyrase
Pan F Chan, Thomas Germe, Benjamin D Bax, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 18) with videos related to
Sort By:
Page
of 2
Journal of Medicinal Chemistry
|
July 8, 2005
Large-scale validation of a quantum mechanics based scoring function: predicting the binding affinity and the binding mode of a diverse set of protein-ligand complexes
Kaushik Raha, Kenneth M Merz
Journal of the American Chemical Society
|
January 30, 2004
A quantum mechanics-based scoring function: study of zinc ion-mediated ligand binding
Kaushik Raha, Kenneth M Merz
Journal of the American Chemical Society
|
September 16, 2004
Pose scoring by NMR
Bing Wang, Kaushik Raha, Kenneth M Merz
Current Opinion in Drug Discovery & Development
|
May 30, 2006
Quantum mechanics in structure-based drug design
Martin B Peters, Kaushik Raha, Kenneth M Merz
Protein Science : a Publication of the Protein Society
|
June 26, 2009
Blind docking of pharmaceutically relevant compounds using RosettaLigand
Ian W Davis, Kaushik Raha, Martha S Head, et al.
Drug Discovery Today
|
September 11, 2007
The role of quantum mechanics in structure-based drug design
Kaushik Raha, Martin B Peters, Bing Wang, et al.
Journal of the American Chemical Society
|
May 5, 2005
Pairwise decomposition of residue interaction energies using semiempirical quantum mechanical methods in studies of protein-ligand interaction
Kaushik Raha, Arjan J van der Vaart, Kevin E Riley, et al.
Current Topics in Medicinal Chemistry
|
May 3, 2017
A Perspective on Water Site Prediction Methods for Structure Based Drug Design
Alan P Graves, Ian D Wall, Colin M Edge, et al.
ACS Medicinal Chemistry Letters
|
June 6, 2014
[3a,4]-Dihydropyrazolo[1,5a]pyrimidines: Novel, Potent, and Selective Phosphatidylinositol-3-kinase β Inhibitors
Hongyi Yu, Michael L Moore, Karl Erhard, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
May 17, 2017
Thiophene antibacterials that allosterically stabilize DNA-cleavage complexes with DNA gyrase
Pan F Chan, Thomas Germe, Benjamin D Bax, et al.
Page
of 2