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forcefield

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2 results in Keywords: forcefield

Theoretical and Computational Chemistry

Comparing the performance of different AMBER protein forcefields, partial charge assignments, and water models for absolute binding free energy calculations

Version 1 posted 31 January 2022

936

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Inorganic Chemistry

Molecular dynamics studies of Ho(III) aqua-tris(dibenzoylmethane) complex: Role of water dynamics

Takahiro Ohkubo, Nao Komiyama, Hyuma Masu, Keiki Kishikawa, Michinari Kohri

Version 1 posted 20 April 2023

137

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