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Journal of Computer-Aided Molecular Design
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December 1, 2016
Modeling & Informatics at Vertex Pharmaceuticals Incorporated: our philosophy for sustained impact
Georgia McGaughey, W Patrick Walters
F1000Research
|
November 5, 2016
Understanding covariate shift in model performance
Georgia McGaughey, W Patrick Walters, Brian Goldman
Journal of Chemical Information and Modeling
|
January 9, 2019
A Brief Recent History of Women in Computational Chemistry at Vertex Pharmaceuticals
Georgia McGaughey, Rebecca Swett, Sara Swift, et al.
Journal of Molecular Graphics & Modelling
|
November 5, 2002
A simple method for visualizing the differences between related receptor sites
Robert P Sheridan, M Katharine Holloway, Georgia McGaughey, et al.
Journal of Molecular Graphics & Modelling
|
December 5, 2002
A simple method for visualizing the differences between related receptor sites
Robert P Sheridan, M Katharine Holloway, Georgia McGaughey, et al.
Journal of Chemical Information and Modeling
|
August 26, 2016
Prediction of Protein Pairs Sharing Common Active Ligands Using Protein Sequence, Structure, and Ligand Similarity
Yu-Chen Chen, Robert Tolbert, Alex M Aronov, et al.
Journal of Computer-Aided Molecular Design
|
February 4, 2014
Shaping suvorexant: application of experimental and theoretical methods for driving synthetic designs
Georgia McGaughey, Christopher I Bayly, Christopher D Cox, et al.
Bioorganic & Medicinal Chemistry Letters
|
November 28, 2008
Identification of a small molecule beta-secretase inhibitor that binds without catalytic aspartate engagement
Thomas G Steele, Ivory D Hills, Ashley A Nomland, et al.
Bioorganic & Medicinal Chemistry Letters
|
December 2, 2011
Discovery of pyrrolidine-based β-secretase inhibitors: lead advancement through conformational design for maintenance of ligand binding efficiency
Shawn J Stachel, Thomas G Steele, Alessia Petrocchi, et al.
Journal of Computer-Aided Molecular Design
|
January 25, 2020
D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies
Conor D Parks, Zied Gaieb, Michael Chiu, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 19) with videos related to
Sort By:
Page
of 2
Journal of Computer-Aided Molecular Design
|
December 1, 2016
Modeling & Informatics at Vertex Pharmaceuticals Incorporated: our philosophy for sustained impact
Georgia McGaughey, W Patrick Walters
F1000Research
|
November 5, 2016
Understanding covariate shift in model performance
Georgia McGaughey, W Patrick Walters, Brian Goldman
Journal of Chemical Information and Modeling
|
January 9, 2019
A Brief Recent History of Women in Computational Chemistry at Vertex Pharmaceuticals
Georgia McGaughey, Rebecca Swett, Sara Swift, et al.
Journal of Molecular Graphics & Modelling
|
November 5, 2002
A simple method for visualizing the differences between related receptor sites
Robert P Sheridan, M Katharine Holloway, Georgia McGaughey, et al.
Journal of Molecular Graphics & Modelling
|
December 5, 2002
A simple method for visualizing the differences between related receptor sites
Robert P Sheridan, M Katharine Holloway, Georgia McGaughey, et al.
Journal of Chemical Information and Modeling
|
August 26, 2016
Prediction of Protein Pairs Sharing Common Active Ligands Using Protein Sequence, Structure, and Ligand Similarity
Yu-Chen Chen, Robert Tolbert, Alex M Aronov, et al.
Journal of Computer-Aided Molecular Design
|
February 4, 2014
Shaping suvorexant: application of experimental and theoretical methods for driving synthetic designs
Georgia McGaughey, Christopher I Bayly, Christopher D Cox, et al.
Bioorganic & Medicinal Chemistry Letters
|
November 28, 2008
Identification of a small molecule beta-secretase inhibitor that binds without catalytic aspartate engagement
Thomas G Steele, Ivory D Hills, Ashley A Nomland, et al.
Bioorganic & Medicinal Chemistry Letters
|
December 2, 2011
Discovery of pyrrolidine-based β-secretase inhibitors: lead advancement through conformational design for maintenance of ligand binding efficiency
Shawn J Stachel, Thomas G Steele, Alessia Petrocchi, et al.
Journal of Computer-Aided Molecular Design
|
January 25, 2020
D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies
Conor D Parks, Zied Gaieb, Michael Chiu, et al.
Page
of 2