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Joseph A Morrone

Showing results (11-20 of 30) with videos related to

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Proceedings of the National Academy of Sciences of the United States of America|September 16, 2015
Role of water and steric constraints in the kinetics of cavity-ligand unbindingPratyush Tiwary, Jagannath Mondal, Joseph A Morrone, et al.
Current Opinion in Structural Biology|January 17, 2016
Advances in free-energy-based simulations of protein folding and ligand bindingAlberto Perez, Joseph A Morrone, Carlos Simmerling, et al.
Journal of Chemical Theory and Computation|January 3, 2017
Computed Binding of Peptides to Proteins with MELD-Accelerated Molecular DynamicsJoseph A Morrone, Alberto Perez, Justin MacCallum, et al.
The Journal of Chemical Physics|January 12, 2011
Efficient multiple time scale molecular dynamics: Using colored noise thermostats to stabilize resonancesJoseph A Morrone, Thomas E Markland, Michele Ceriotti, et al.
BMC Microbiology|March 3, 2026
Predicting pyrazinamide resistance in Mycobacterium tuberculosis using a graph convolutional networkDylan Dissanayake, Viktoria Brunner, Dylan Adlard, et al.
Journal of Chemical Information and Modeling|February 7, 2022
Analysis of Training and Seed Bias in Small Molecules Generated with a Conditional Graph-Based Variational Autoencoder─Insights for Practical AI-Driven Molecule GenerationSeung-Gu Kang, Joseph A Morrone, Jeffrey K Weber, et al.
Journal of Chemical Information and Modeling|February 21, 2020
Combining Docking Pose Rank and Structure with Deep Learning Improves Protein-Ligand Binding Mode Prediction over a Baseline Docking ApproachJoseph A Morrone, Jeffrey K Weber, Tien Huynh, et al.
Science Advances|November 17, 2016
Blind protein structure prediction using accelerated free-energy simulationsAlberto Perez, Joseph A Morrone, Emiliano Brini, et al.
The Journal of Chemical Physics|January 7, 2005
Long range interactions on wires: a reciprocal space based formalismPeter Mináry, Joseph A Morrone, Dawn A Yarne, et al.
The Journal of Physical Chemistry. B|March 4, 2026
In-Pocket 3D Graphs Enhance Ligand-Target Compatibility in Generative Small-Molecule Creation: A Dopamine D2 Receptor Model SystemSeung-Gu Kang, Jeffrey K Weber, Joseph A Morrone, et al.
Pageof 3

Showing results (11-20 of 30) with videos related to

Sort By:
Pageof 3
Proceedings of the National Academy of Sciences of the United States of America|September 16, 2015
Role of water and steric constraints in the kinetics of cavity-ligand unbindingPratyush Tiwary, Jagannath Mondal, Joseph A Morrone, et al.
Current Opinion in Structural Biology|January 17, 2016
Advances in free-energy-based simulations of protein folding and ligand bindingAlberto Perez, Joseph A Morrone, Carlos Simmerling, et al.
Journal of Chemical Theory and Computation|January 3, 2017
Computed Binding of Peptides to Proteins with MELD-Accelerated Molecular DynamicsJoseph A Morrone, Alberto Perez, Justin MacCallum, et al.
The Journal of Chemical Physics|January 12, 2011
Efficient multiple time scale molecular dynamics: Using colored noise thermostats to stabilize resonancesJoseph A Morrone, Thomas E Markland, Michele Ceriotti, et al.
BMC Microbiology|March 3, 2026
Predicting pyrazinamide resistance in Mycobacterium tuberculosis using a graph convolutional networkDylan Dissanayake, Viktoria Brunner, Dylan Adlard, et al.
Journal of Chemical Information and Modeling|February 7, 2022
Analysis of Training and Seed Bias in Small Molecules Generated with a Conditional Graph-Based Variational Autoencoder─Insights for Practical AI-Driven Molecule GenerationSeung-Gu Kang, Joseph A Morrone, Jeffrey K Weber, et al.
Journal of Chemical Information and Modeling|February 21, 2020
Combining Docking Pose Rank and Structure with Deep Learning Improves Protein-Ligand Binding Mode Prediction over a Baseline Docking ApproachJoseph A Morrone, Jeffrey K Weber, Tien Huynh, et al.
Science Advances|November 17, 2016
Blind protein structure prediction using accelerated free-energy simulationsAlberto Perez, Joseph A Morrone, Emiliano Brini, et al.
The Journal of Chemical Physics|January 7, 2005
Long range interactions on wires: a reciprocal space based formalismPeter Mináry, Joseph A Morrone, Dawn A Yarne, et al.
The Journal of Physical Chemistry. B|March 4, 2026
In-Pocket 3D Graphs Enhance Ligand-Target Compatibility in Generative Small-Molecule Creation: A Dopamine D2 Receptor Model SystemSeung-Gu Kang, Jeffrey K Weber, Joseph A Morrone, et al.
Pageof 3