Accelerating the Generalized Born with Molecular Volume and Solvent Accessible Surface Area Implicit Solvent Model Using Graphics Processing Units

Xiping Gong, Mara Chiricotto, Xiaorong Liu, Erik Nordquist, Michael Feig, Charles L. Brooks III, Jianhan Chen. Accelerating the Generalized Born with Molecular Volume and Solvent Accessible Surface Area Implicit Solvent Model Using Graphics Processing Units. Journal of Computational Chemistry, 41(8):830-838, 2020. [doi]

Abstract

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