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Journal of Chemical Information and Modeling
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November 20, 2023
Exploring Kinase Asp-Phe-Gly (DFG) Loop Conformational Stability with AlphaFold2-RAVE
Bodhi P Vani, Akashnathan Aranganathan, Pratyush Tiwary
Arxiv
|
September 21, 2023
Exploring kinase DFG loop conformational stability with AlphaFold2-RAVE
Bodhi P Vani, Akashnathan Aranganathan, Pratyush Tiwary
The Journal of Chemical Physics
|
July 22, 2022
Computing transition path theory quantities with trajectory stratification
Bodhi P Vani, Jonathan Weare, Aaron R Dinner
Journal of Chemical Information and Modeling
|
March 7, 2024
Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention
Zachary Smith, Michael Strobel, Bodhi P Vani, et al.
Biorxiv : the Preprint Server for Biology
|
August 7, 2023
Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention
Zachary Smith, Michael Strobel, Bodhi P Vani, et al.
Journal of Chemical Theory and Computation
|
May 12, 2023
AlphaFold2-RAVE: From Sequence to Boltzmann Ranking
Bodhi P Vani, Akashnathan Aranganathan, Dedi Wang, et al.
Current Opinion in Structural Biology
|
February 9, 2025
Modeling Boltzmann-weighted structural ensembles of proteins using artificial intelligence-based methods
Akashnathan Aranganathan, Xinyu Gu, Dedi Wang, et al.
Journal of Chemical Theory and Computation
|
April 28, 2021
Long-Time-Scale Predictions from Short-Trajectory Data: A Benchmark Analysis of the Trp-Cage Miniprotein
John Strahan, Adam Antoszewski, Chatipat Lorpaiboon, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
November 17, 2018
Molecular dynamics simulations of nucleotide release from the circadian clock protein KaiC reveal atomic-resolution functional insights
Lu Hong, Bodhi P Vani, Erik H Thiede, et al.
The Journal of Physical Chemistry. B
|
June 10, 2020
Insulin Dissociates by Diverse Mechanisms of Coupled Unfolding and Unbinding
Adam Antoszewski, Chi-Jui Feng, Bodhi P Vani, et al.
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of 1
Search research articles
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Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
Journal of Chemical Information and Modeling
|
November 20, 2023
Exploring Kinase Asp-Phe-Gly (DFG) Loop Conformational Stability with AlphaFold2-RAVE
Bodhi P Vani, Akashnathan Aranganathan, Pratyush Tiwary
Arxiv
|
September 21, 2023
Exploring kinase DFG loop conformational stability with AlphaFold2-RAVE
Bodhi P Vani, Akashnathan Aranganathan, Pratyush Tiwary
The Journal of Chemical Physics
|
July 22, 2022
Computing transition path theory quantities with trajectory stratification
Bodhi P Vani, Jonathan Weare, Aaron R Dinner
Journal of Chemical Information and Modeling
|
March 7, 2024
Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention
Zachary Smith, Michael Strobel, Bodhi P Vani, et al.
Biorxiv : the Preprint Server for Biology
|
August 7, 2023
Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention
Zachary Smith, Michael Strobel, Bodhi P Vani, et al.
Journal of Chemical Theory and Computation
|
May 12, 2023
AlphaFold2-RAVE: From Sequence to Boltzmann Ranking
Bodhi P Vani, Akashnathan Aranganathan, Dedi Wang, et al.
Current Opinion in Structural Biology
|
February 9, 2025
Modeling Boltzmann-weighted structural ensembles of proteins using artificial intelligence-based methods
Akashnathan Aranganathan, Xinyu Gu, Dedi Wang, et al.
Journal of Chemical Theory and Computation
|
April 28, 2021
Long-Time-Scale Predictions from Short-Trajectory Data: A Benchmark Analysis of the Trp-Cage Miniprotein
John Strahan, Adam Antoszewski, Chatipat Lorpaiboon, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
November 17, 2018
Molecular dynamics simulations of nucleotide release from the circadian clock protein KaiC reveal atomic-resolution functional insights
Lu Hong, Bodhi P Vani, Erik H Thiede, et al.
The Journal of Physical Chemistry. B
|
June 10, 2020
Insulin Dissociates by Diverse Mechanisms of Coupled Unfolding and Unbinding
Adam Antoszewski, Chi-Jui Feng, Bodhi P Vani, et al.
Page
of 1