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Theoretical and Computational Chemistry

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Meghan Osato

3 results in Authors: Meghan Osato

Theoretical and Computational Chemistry

Fragment Pose Prediction Using Non-Equilibrium Candidate Monte Carlo and Molecular Dynamics Simulations

Nathan M. Lim, Meghan Osato, Gregory L. Warren, David L. Mobley

Version 2 posted 12 November 2019

573

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Theoretical and Computational Chemistry

Characterizing Discrete Binding Conformations of T4 L99A via Markov State Modeling

Chris Zhang, Meghan Osato, David Mobley

Version 1 posted 11 March 2024

264

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Theoretical and Computational Chemistry

Evaluating the functional importance of conformer-dependent atomic partial charge assignment

Meghan Osato, Hannah Baumann, Jennifer Huang, Irfan Alibay, David Mobley

Version 1 posted 12 December 2024

156

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