Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges

Abstract

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This paper, published in 1950, received 1.3k indexed citations. Written by Kenno Vanommeslaeghe, E. Prabhu Raman and Alexander D. MacKerell covering the research area of Molecular Biology, Computational Theory and Mathematics and Physical and Theoretical Chemistry. It is primarily cited by scholars working on Molecular Biology (816 citations), Materials Chemistry (217 citations) and Computational Theory and Mathematics (209 citations). Published in Journal of Chemical Information and Modeling.

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doi.org/10.1021/ci3003649 →

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This paper is also available at doi.org/10.1021/ci3003649.

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