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Journal of Chemical Theory and Computation
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June 25, 2020
Predicting Ligand Binding Kinetics Using a Markovian Milestoning with Voronoi Tessellations Multiscale Approach
Benjamin R Jagger, Anupam A Ojha, Rommie E Amaro
The Journal of Physical Chemistry Letters
|
August 3, 2018
Quantitative Ranking of Ligand Binding Kinetics with a Multiscale Milestoning Simulation Approach
Benjamin R Jagger, Christopher T Lee, Rommie E Amaro
Journal of Chemical Information and Modeling
|
September 27, 2024
Breaking Down the Bottlebrush: Atomically Detailed Structural Dynamics of Mucins
Fiona L Kearns, Mia A Rosenfeld, Rommie E Amaro
Procedia Computer Science
|
August 2, 2016
Biomedical Big Data Training Collaborative (BBDTC): An effort to bridge the talent gap in biomedical science and research
Shweta Purawat, Charles Cowart, Rommie E Amaro, et al.
Journal of Chemical Information and Modeling
|
September 24, 2016
Enhancing Virtual Screening Performance of Protein Kinases with Molecular Dynamics Simulations
Tavina L Offutt, Robert V Swift, Rommie E Amaro
Proceedings of the National Academy of Sciences of the United States of America
|
April 13, 2019
Structural basis for ligand modulation of the CCR2 conformational landscape
Bryn C Taylor, Christopher T Lee, Rommie E Amaro
Journal of Chemical Information and Modeling
|
April 22, 2020
Ranking of Ligand Binding Kinetics Using a Weighted Ensemble Approach and Comparison with a Multiscale Milestoning Approach
Surl-Hee Ahn, Benjamin R Jagger, Rommie E Amaro
The Journal of Physical Chemistry Letters
|
June 9, 2025
Conformational Dynamics and Activation of Membrane-Associated Human Group IVA Cytosolic Phospholipase A<sub>2</sub> (cPLA<sub>2</sub>)
Mac Kevin E Braza, Edward A Dennis, Rommie E Amaro
Journal of Chemical Theory and Computation
|
November 18, 2014
POVME 2.0: An Enhanced Tool for Determining Pocket Shape and Volume Characteristics
Jacob D Durrant, Lane Votapka, Jesper Sørensen, et al.
Chemical Biology & Drug Design
|
December 21, 2016
ENRI: A tool for selecting structure-based virtual screening target conformations
Rahmad Akbar, Siti Azma Jusoh, Rommie E Amaro, et al.
Page
of 27
Search research articles
Search
Showing results (41-50 of 261) with videos related to
Sort By:
Page
of 27
Journal of Chemical Theory and Computation
|
June 25, 2020
Predicting Ligand Binding Kinetics Using a Markovian Milestoning with Voronoi Tessellations Multiscale Approach
Benjamin R Jagger, Anupam A Ojha, Rommie E Amaro
The Journal of Physical Chemistry Letters
|
August 3, 2018
Quantitative Ranking of Ligand Binding Kinetics with a Multiscale Milestoning Simulation Approach
Benjamin R Jagger, Christopher T Lee, Rommie E Amaro
Journal of Chemical Information and Modeling
|
September 27, 2024
Breaking Down the Bottlebrush: Atomically Detailed Structural Dynamics of Mucins
Fiona L Kearns, Mia A Rosenfeld, Rommie E Amaro
Procedia Computer Science
|
August 2, 2016
Biomedical Big Data Training Collaborative (BBDTC): An effort to bridge the talent gap in biomedical science and research
Shweta Purawat, Charles Cowart, Rommie E Amaro, et al.
Journal of Chemical Information and Modeling
|
September 24, 2016
Enhancing Virtual Screening Performance of Protein Kinases with Molecular Dynamics Simulations
Tavina L Offutt, Robert V Swift, Rommie E Amaro
Proceedings of the National Academy of Sciences of the United States of America
|
April 13, 2019
Structural basis for ligand modulation of the CCR2 conformational landscape
Bryn C Taylor, Christopher T Lee, Rommie E Amaro
Journal of Chemical Information and Modeling
|
April 22, 2020
Ranking of Ligand Binding Kinetics Using a Weighted Ensemble Approach and Comparison with a Multiscale Milestoning Approach
Surl-Hee Ahn, Benjamin R Jagger, Rommie E Amaro
The Journal of Physical Chemistry Letters
|
June 9, 2025
Conformational Dynamics and Activation of Membrane-Associated Human Group IVA Cytosolic Phospholipase A<sub>2</sub> (cPLA<sub>2</sub>)
Mac Kevin E Braza, Edward A Dennis, Rommie E Amaro
Journal of Chemical Theory and Computation
|
November 18, 2014
POVME 2.0: An Enhanced Tool for Determining Pocket Shape and Volume Characteristics
Jacob D Durrant, Lane Votapka, Jesper Sørensen, et al.
Chemical Biology & Drug Design
|
December 21, 2016
ENRI: A tool for selecting structure-based virtual screening target conformations
Rahmad Akbar, Siti Azma Jusoh, Rommie E Amaro, et al.
Page
of 27