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Bryant Kim
Bryant Kim
Indiana University – Purdue University Indianapolis
QM/MM
Physics
Ab initio
Density functional theory
Biochemistry
3
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3
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0
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Doubly Polarized QM/MM with Machine Learning Chaperone Polarizability.
2021
Journal of Chemical Theory and Computation
Bryant Kim
Yihan Shao
Jingzhi Pu
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Reaction Path-Force Matching in Collective Variables: Determining Ab Initio QM/MM Free Energy Profiles by Fitting Mean Force.
2021
Journal of Chemical Theory and Computation
Bryant Kim
Ryan Snyder
Mulpuri Nagaraju
Yan Zhou
Pedro Ojeda-May
Seth Keeton
Mellisa M. Hege
Yihan Shao
Jingzhi Pu
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Mapping Free Energy Pathways for ATP Hydrolysis in the E. coli ABC Transporter HlyB by the String Method
2018
Yan Zhou
Pedro Ojeda-May
Mulpuri Nagaraju
Bryant Kim
Jingzhi Pu
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