"A fast empirical GAFF compatible partial atomic charge assignment scheme ..."

Goutam Mukherjee et al. (2011)

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DOI: 10.1002/JCC.21671

access: closed

type: Journal Article

metadata version: 2020-12-29

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Goutam Mukherjee, Niladri Patra, Poranjyoti Barua, Bhyravabhotla Jayaram:
A fast empirical GAFF compatible partial atomic charge assignment scheme for modeling interactions of small molecules with biomolecular targets. J. Comput. Chem. 32(5): 893-907 (2011)

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