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Meghan Osato

Showing results (1-10 of 7) with videos related to

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Journal of Chemical Information and Modeling|November 26, 2024
Kinetics-Based State Definitions for Discrete Binding Conformations of T4 L99A in MD via Markov State ModelingChris Zhang, Meghan Osato, David L Mobley
Journal of Chemical Information and Modeling|May 5, 2026
An Automated Workflow for Diagnosing Sampling Issues Caused by Slow Torsional Motions in Molecular SimulationsMeghan Osato, Travis Dabbous, David L Mobley
Journal of Chemical Theory and Computation|March 14, 2020
Fragment Pose Prediction Using Non-equilibrium Candidate Monte Carlo and Molecular Dynamics SimulationsNathan M Lim, Meghan Osato, Gregory L Warren, et al.
Journal of Computational Chemistry|May 15, 2025
Evaluating the Functional Importance of Conformer-Dependent Atomic Partial Charge AssignmentMeghan Osato, Hannah M Baumann, Jennifer Huang, et al.
Journal of Chemical Theory and Computation|January 31, 2024
PopShift: A Thermodynamically Sound Approach to Estimate Binding Free Energies by Accounting for Ligand-Induced Population Shifts from a Ligand-Free Markov State ModelLouis G Smith, Borna Novak, Meghan Osato, et al.
Biorxiv : the Preprint Server for Biology|July 28, 2023
PopShift: A thermodynamically sound approach to estimate binding free energies by accounting for ligand-induced population shifts from a ligand-free MSMLouis G Smith, Borna Novak, Meghan Osato, et al.
Chemical Science|October 20, 2021
Temperature artifacts in protein structures bias ligand-binding predictionsShanshan Y C Bradford, Léa El Khoury, Yunhui Ge, et al.
Pageof 1

Showing results (1-10 of 7) with videos related to

Sort By:
Pageof 1
Journal of Chemical Information and Modeling|November 26, 2024
Kinetics-Based State Definitions for Discrete Binding Conformations of T4 L99A in MD via Markov State ModelingChris Zhang, Meghan Osato, David L Mobley
Journal of Chemical Information and Modeling|May 5, 2026
An Automated Workflow for Diagnosing Sampling Issues Caused by Slow Torsional Motions in Molecular SimulationsMeghan Osato, Travis Dabbous, David L Mobley
Journal of Chemical Theory and Computation|March 14, 2020
Fragment Pose Prediction Using Non-equilibrium Candidate Monte Carlo and Molecular Dynamics SimulationsNathan M Lim, Meghan Osato, Gregory L Warren, et al.
Journal of Computational Chemistry|May 15, 2025
Evaluating the Functional Importance of Conformer-Dependent Atomic Partial Charge AssignmentMeghan Osato, Hannah M Baumann, Jennifer Huang, et al.
Journal of Chemical Theory and Computation|January 31, 2024
PopShift: A Thermodynamically Sound Approach to Estimate Binding Free Energies by Accounting for Ligand-Induced Population Shifts from a Ligand-Free Markov State ModelLouis G Smith, Borna Novak, Meghan Osato, et al.
Biorxiv : the Preprint Server for Biology|July 28, 2023
PopShift: A thermodynamically sound approach to estimate binding free energies by accounting for ligand-induced population shifts from a ligand-free MSMLouis G Smith, Borna Novak, Meghan Osato, et al.
Chemical Science|October 20, 2021
Temperature artifacts in protein structures bias ligand-binding predictionsShanshan Y C Bradford, Léa El Khoury, Yunhui Ge, et al.
Pageof 1