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C

Christopher I. Bayly

Merck (Japan)ORCID https://orcid.org/0000-0001-9145-6457

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Impact (2-yr)

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Top Publications

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

Journal of the American Chemical Society199513,076 citations

A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model

The Journal of Physical Chemistry19937,965 citationsFirst authorCorresponding

Fast, efficient generation of high‐quality atomic charges. AM1‐BCC model: II. Parameterization and validation

Journal of Computational Chemistry20023,397 citationsCorresponding

Fast, efficient generation of high-quality atomic charges. AM1-BCC model: I. Method

Journal of Computational Chemistry20001,597 citationsCorresponding

Application of the multimolecule and multiconformational RESP methodology to biopolymers: Charge derivation for DNA, RNA, and proteins

Journal of Computational Chemistry19951,026 citations

Christopher I. Bayly · Scinovex