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Journal of Medicinal Chemistry
|
May 27, 2005
Decoys for docking
Alan P Graves, Ruth Brenk, Brian K Shoichet
Journal of Chemical Information and Modeling
|
December 25, 2019
GRAM: A True Null Model for Relative Binding Affinity Predictions
Guanglei Cui, Alan P Graves, Eric S Manas
Journal of Medicinal Chemistry
|
December 10, 2016
Substituent Effects on Drug-Receptor H-bond Interactions: Correlations Useful for the Design of Kinase Inhibitors
Brian G Lawhorn, Joanne Philp, Alan P Graves, et al.
Journal of Molecular Biology
|
September 29, 2009
Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site
Sarah E Boyce, David L Mobley, Gabriel J Rocklin, et al.
Journal of Molecular Biology
|
February 19, 2008
Rescoring docking hit lists for model cavity sites: predictions and experimental testing
Alan P Graves, Devleena M Shivakumar, Sarah E Boyce, et al.
Journal of Molecular Biology
|
June 30, 2007
Predicting absolute ligand binding free energies to a simple model site
David L Mobley, Alan P Graves, John D Chodera, et al.
Journal of Chemical Information and Modeling
|
May 4, 2022
Ensemble Simulations and Experimental Free Energy Distributions: Evaluation and Characterization of Isoxazole Amides as SMYD3 Inhibitors
Shunzhou Wan, Agastya P Bhati, David W Wright, et al.
Bioorganic & Medicinal Chemistry Letters
|
June 2, 2016
GSK114: A selective inhibitor for elucidating the biological role of TNNI3K
Brian G Lawhorn, Joanne Philp, Alan P Graves, et al.
Journal of Biomolecular Screening
|
March 7, 2012
Perspectives on the discovery of small-molecule modulators for epigenetic processes
Quinn Lu, Amy M Quinn, Mehul P Patel, 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.
Page
of 3
Search research articles
Search
Showing results (1-10 of 27) with videos related to
Sort By:
Page
of 3
Journal of Medicinal Chemistry
|
May 27, 2005
Decoys for docking
Alan P Graves, Ruth Brenk, Brian K Shoichet
Journal of Chemical Information and Modeling
|
December 25, 2019
GRAM: A True Null Model for Relative Binding Affinity Predictions
Guanglei Cui, Alan P Graves, Eric S Manas
Journal of Medicinal Chemistry
|
December 10, 2016
Substituent Effects on Drug-Receptor H-bond Interactions: Correlations Useful for the Design of Kinase Inhibitors
Brian G Lawhorn, Joanne Philp, Alan P Graves, et al.
Journal of Molecular Biology
|
September 29, 2009
Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site
Sarah E Boyce, David L Mobley, Gabriel J Rocklin, et al.
Journal of Molecular Biology
|
February 19, 2008
Rescoring docking hit lists for model cavity sites: predictions and experimental testing
Alan P Graves, Devleena M Shivakumar, Sarah E Boyce, et al.
Journal of Molecular Biology
|
June 30, 2007
Predicting absolute ligand binding free energies to a simple model site
David L Mobley, Alan P Graves, John D Chodera, et al.
Journal of Chemical Information and Modeling
|
May 4, 2022
Ensemble Simulations and Experimental Free Energy Distributions: Evaluation and Characterization of Isoxazole Amides as SMYD3 Inhibitors
Shunzhou Wan, Agastya P Bhati, David W Wright, et al.
Bioorganic & Medicinal Chemistry Letters
|
June 2, 2016
GSK114: A selective inhibitor for elucidating the biological role of TNNI3K
Brian G Lawhorn, Joanne Philp, Alan P Graves, et al.
Journal of Biomolecular Screening
|
March 7, 2012
Perspectives on the discovery of small-molecule modulators for epigenetic processes
Quinn Lu, Amy M Quinn, Mehul P Patel, 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.
Page
of 3