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Theoretical and Computational Chemistry

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Markov state modeling

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2 results in Keywords: Markov state modeling

Theoretical and Computational Chemistry

Transition between [R]- and [S]-Stereoisomers without Bond Breaking

Shampa Raghunathan, Komal Yadav, V. C. Rojisha, Tanashree Jaganade, V. Prathyusha, Swetha Bikkina, Upakarasamy Lourderaj, U. Deva Priyakumar

Version 2 posted 01 June 2020

848

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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

169

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