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Biophysical Chemistry
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December 3, 2014
The potency-insolubility conundrum in pharmaceuticals: Mechanism and solution for hepatitis C protease inhibitors
Patrick R Connelly, Phillip W Snyder, Yuegang Zhang, et al.
Journal of Computer-Aided Molecular Design
|
December 6, 2017
D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies
Zied Gaieb, Shuai Liu, Symon Gathiaka, et al.
Journal of Computer-Aided Molecular Design
|
January 12, 2019
D3R Grand Challenge 3: blind prediction of protein-ligand poses and affinity rankings
Zied Gaieb, Conor D Parks, Michael Chiu, et al.
Journal of Chemical Information and Modeling
|
March 10, 2026
The Open Molecular Software Foundation (OMSF) and the Growing Role of Open Source Software in Molecular Modeling
Karmen Čondić-Jurkić, Irfan Alibay, Woody Sherman, 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.
Journal of Computer-Aided Molecular Design
|
October 4, 2016
D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictions
Symon Gathiaka, Shuai Liu, Michael Chiu, et al.
Biorxiv : the Preprint Server for Biology
|
September 10, 2024
Extensive exploration of structure activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment merging and active learning
Galen J Correy, Moira Rachman, Takaya Togo, et al.
Nature Reviews. Drug Discovery
|
December 6, 2019
Rethinking drug design in the artificial intelligence era
Petra Schneider, W Patrick Walters, Alleyn T Plowright, et al.
Journal of Computer-Aided Molecular Design
|
September 16, 2022
Epilogue to the Gerald Maggiora Festschrift: a tribute to an exemplary mentor, colleague, collaborator, and innovator
Veerabahu Shanmugasundaram, Jürgen Bajorath, Ralph E Christoffersen, et al.
Chemical Research in Toxicology
|
May 2, 2025
Machine Learning for Toxicity Prediction Using Chemical Structures: Pillars for Success in the Real World
Srijit Seal, Manas Mahale, Miguel García-Ortegón, et al.
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of 7
Search research articles
Search
Showing results (51-60 of 66) with videos related to
Sort By:
Page
of 7
Biophysical Chemistry
|
December 3, 2014
The potency-insolubility conundrum in pharmaceuticals: Mechanism and solution for hepatitis C protease inhibitors
Patrick R Connelly, Phillip W Snyder, Yuegang Zhang, et al.
Journal of Computer-Aided Molecular Design
|
December 6, 2017
D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies
Zied Gaieb, Shuai Liu, Symon Gathiaka, et al.
Journal of Computer-Aided Molecular Design
|
January 12, 2019
D3R Grand Challenge 3: blind prediction of protein-ligand poses and affinity rankings
Zied Gaieb, Conor D Parks, Michael Chiu, et al.
Journal of Chemical Information and Modeling
|
March 10, 2026
The Open Molecular Software Foundation (OMSF) and the Growing Role of Open Source Software in Molecular Modeling
Karmen Čondić-Jurkić, Irfan Alibay, Woody Sherman, 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.
Journal of Computer-Aided Molecular Design
|
October 4, 2016
D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictions
Symon Gathiaka, Shuai Liu, Michael Chiu, et al.
Biorxiv : the Preprint Server for Biology
|
September 10, 2024
Extensive exploration of structure activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment merging and active learning
Galen J Correy, Moira Rachman, Takaya Togo, et al.
Nature Reviews. Drug Discovery
|
December 6, 2019
Rethinking drug design in the artificial intelligence era
Petra Schneider, W Patrick Walters, Alleyn T Plowright, et al.
Journal of Computer-Aided Molecular Design
|
September 16, 2022
Epilogue to the Gerald Maggiora Festschrift: a tribute to an exemplary mentor, colleague, collaborator, and innovator
Veerabahu Shanmugasundaram, Jürgen Bajorath, Ralph E Christoffersen, et al.
Chemical Research in Toxicology
|
May 2, 2025
Machine Learning for Toxicity Prediction Using Chemical Structures: Pillars for Success in the Real World
Srijit Seal, Manas Mahale, Miguel García-Ortegón, et al.
Page
of 7