"Analytical calculation of the solvent-accessible surface area and its ..."

Dario Vassetti, Bartolomeo Civalleri, Frédéric Labat (2020)

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DOI: 10.1002/JCC.26191

access: closed

type: Journal Article

metadata version: 2020-06-16

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Dario Vassetti, Bartolomeo Civalleri, Frédéric Labat:
Analytical calculation of the solvent-accessible surface area and its nuclear gradients by stereographic projection: A general approach for molecules, polymers, nanotubes, helices, and surfaces. J. Comput. Chem. 41(15): 1464-1479 (2020)

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