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E Amaro

Showing results (41-50 of 261) with videos related to

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Journal of Chemical Theory and Computation|June 25, 2020
Predicting Ligand Binding Kinetics Using a Markovian Milestoning with Voronoi Tessellations Multiscale ApproachBenjamin 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 ApproachBenjamin 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 MucinsFiona 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 researchShweta 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 SimulationsTavina 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 landscapeBryn 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 ApproachSurl-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 CharacteristicsJacob 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 conformationsRahmad Akbar, Siti Azma Jusoh, Rommie E Amaro, et al.
Pageof 27

Showing results (41-50 of 261) with videos related to

Sort By:
Pageof 27
Journal of Chemical Theory and Computation|June 25, 2020
Predicting Ligand Binding Kinetics Using a Markovian Milestoning with Voronoi Tessellations Multiscale ApproachBenjamin 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 ApproachBenjamin 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 MucinsFiona 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 researchShweta 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 SimulationsTavina 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 landscapeBryn 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 ApproachSurl-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 CharacteristicsJacob 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 conformationsRahmad Akbar, Siti Azma Jusoh, Rommie E Amaro, et al.
Pageof 27