RPYFMM: Parallel Adaptive Fast Multipole Method for Rotne-Prager-Yamakawa Tensor in Biomolecular Hydrodynamics Simulations.

Guan, W; Cheng, X; Huang, J; Huber, G; Li, W; McCammon, J A; Zhang, B

Guan, W; Cheng, X; Huang, J; Huber, G; Li, W; McCammon, J A; Zhang, B.

Afiliação

Guan W; Department of Mathematics, University of North Carolina, Chapel Hill, NC 27599-3250, USA.
Cheng X; Medicinal Chemistry and Pharmacognosy, College of Pharmacy, Ohio State University, Columbus, OH 43210, USA.
Huang J; Department of Mathematics, University of North Carolina, Chapel Hill, NC 27599-3250, USA.
Huber G; Department of Chemistry and Biochemistry and Department of Pharmacology, University of California at San Diego, La Jolla, CA 92093-0365.
Li W; School of Transportation and Vehicle Engineering, Shandong University of Technology, Zibo, Shandong, China.
McCammon JA; Department of Chemistry and Biochemistry and Department of Pharmacology, University of California at San Diego, La Jolla, CA 92093-0365.
Zhang B; Center for Research in Extreme Scale Technologies, School of Informatics, Computing, and Engineering, Indiana University, Bloomington, IN, 47404, USA.

Comput Phys Commun ; 227: 99-108, 2018 Jun.

Article em En | MEDLINE | ID: mdl-30147116

Palavras-chave

Brownian dynamics; DASHMM; Fast multipole method; Hydrodynamics interactions; Rotne-Prager-Yamakawa tensor

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Comput Phys Commun Ano de publicação: 2018 Tipo de documento: Article País de afiliação: Estados Unidos

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