Temperature artifacts in protein structures bias ligand-binding predictions von Bradford, Shanshan Y. C, El Khoury, Léa, Ge, Yunhui, Osato, Meghan, Mobley, David L, Fischer, Marcus

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Kinetics-Based State Definitions for Discrete Binding Conformations of T4 L99A in MD via Markov State Modeling von Zhang, Chris, Osato, Meghan, Mobley, David L.

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PopShift: A thermodynamically sound approach to estimate binding free energies by accounting for ligand-induced population shifts from a ligand-free MSM von Smith, Louis G., Novak, Borna, Osato, Meghan, Mobley, David L., Bowman, Gregory R.

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PopShift: A Thermodynamically Sound Approach to Estimate Binding Free Energies by Accounting for Ligand-Induced Population Shifts from a Ligand-Free Markov State Model von Smith, Louis G., Novak, Borna, Osato, Meghan, Mobley, David L., Bowman, Gregory R.

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Fragment Pose Prediction Using Non-equilibrium Candidate Monte Carlo and Molecular Dynamics Simulations von Lim, Nathan M, Osato, Meghan, Warren, Gregory L, Mobley, David L

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