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Journal of Chemical Information and Modeling
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February 14, 2019
Massive-Scale Binding Free Energy Simulations of HIV Integrase Complexes Using Asynchronous Replica Exchange Framework Implemented on the IBM WCG Distributed Network
Junchao Xia, William Flynn, Emilio Gallicchio, et al.
Journal of Chemical Information and Modeling
|
December 31, 2025
AlphaFold-RandomWalk and AlphaFold-Ensemble: Sampling Alternative Protein Conformations with Perturbed Versions of AlphaFold
Ishan Taneja, Manuel A Llanos, Monica L Fernández-Quintero, et al.
Journal of Medicinal Chemistry
|
January 25, 2019
Structural Basis of Altered Potency and Efficacy Displayed by a Major in Vivo Metabolite of the Antidiabetic PPARγ Drug Pioglitazone
Sarah A Mosure, Jinsai Shang, Jerome Eberhardt, et al.
Journal of Natural Products
|
July 3, 2020
Initial Analysis of the Arylomycin D Antibiotics
Yun Xuan Tan, David S Peters, Shawn I Walsh, et al.
ACS Chemical Biology
|
June 30, 2025
CIAA: Integrated Proteomics and Structural Modeling for Understanding Cysteine Reactivity with Iodoacetamide Alkyne
Lisa M Boatner, Jerome Eberhardt, Flowreen Shikwana, et al.
Nature Chemical Biology
|
January 3, 2024
Enhanced mapping of small-molecule binding sites in cells
Jacob M Wozniak, Weichao Li, Paolo Governa, et al.
Nature Chemical Biology
|
January 11, 2024
Author Correction: Enhanced mapping of small-molecule binding sites in cells
Jacob M Wozniak, Weichao Li, Paolo Governa, et al.
Chemical Biology & Drug Design
|
September 4, 2013
Crystallographic fragment-based drug discovery: use of a brominated fragment library targeting HIV protease
Theresa Tiefenbrunn, Stefano Forli, Meaghan Happer, et al.
Journal of Computer-Aided Molecular Design
|
February 8, 2014
Virtual screening of integrase inhibitors by large scale binding free energy calculations: the SAMPL4 challenge
Emilio Gallicchio, Nanjie Deng, Peng He, et al.
Science (New York, N.Y.)
|
March 30, 2023
Orphan receptor GPR158 serves as a metabotropic glycine receptor: mGlyR
Thibaut Laboute, Stefano Zucca, Matthew Holcomb, et al.
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of 12
Search research articles
Search
Showing results (51-60 of 113) with videos related to
Sort By:
Page
of 12
Journal of Chemical Information and Modeling
|
February 14, 2019
Massive-Scale Binding Free Energy Simulations of HIV Integrase Complexes Using Asynchronous Replica Exchange Framework Implemented on the IBM WCG Distributed Network
Junchao Xia, William Flynn, Emilio Gallicchio, et al.
Journal of Chemical Information and Modeling
|
December 31, 2025
AlphaFold-RandomWalk and AlphaFold-Ensemble: Sampling Alternative Protein Conformations with Perturbed Versions of AlphaFold
Ishan Taneja, Manuel A Llanos, Monica L Fernández-Quintero, et al.
Journal of Medicinal Chemistry
|
January 25, 2019
Structural Basis of Altered Potency and Efficacy Displayed by a Major in Vivo Metabolite of the Antidiabetic PPARγ Drug Pioglitazone
Sarah A Mosure, Jinsai Shang, Jerome Eberhardt, et al.
Journal of Natural Products
|
July 3, 2020
Initial Analysis of the Arylomycin D Antibiotics
Yun Xuan Tan, David S Peters, Shawn I Walsh, et al.
ACS Chemical Biology
|
June 30, 2025
CIAA: Integrated Proteomics and Structural Modeling for Understanding Cysteine Reactivity with Iodoacetamide Alkyne
Lisa M Boatner, Jerome Eberhardt, Flowreen Shikwana, et al.
Nature Chemical Biology
|
January 3, 2024
Enhanced mapping of small-molecule binding sites in cells
Jacob M Wozniak, Weichao Li, Paolo Governa, et al.
Nature Chemical Biology
|
January 11, 2024
Author Correction: Enhanced mapping of small-molecule binding sites in cells
Jacob M Wozniak, Weichao Li, Paolo Governa, et al.
Chemical Biology & Drug Design
|
September 4, 2013
Crystallographic fragment-based drug discovery: use of a brominated fragment library targeting HIV protease
Theresa Tiefenbrunn, Stefano Forli, Meaghan Happer, et al.
Journal of Computer-Aided Molecular Design
|
February 8, 2014
Virtual screening of integrase inhibitors by large scale binding free energy calculations: the SAMPL4 challenge
Emilio Gallicchio, Nanjie Deng, Peng He, et al.
Science (New York, N.Y.)
|
March 30, 2023
Orphan receptor GPR158 serves as a metabotropic glycine receptor: mGlyR
Thibaut Laboute, Stefano Zucca, Matthew Holcomb, et al.
Page
of 12