GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
Pronk, Sander ; Páll, Szilárd ; Schulz, Roland ; Larsson, Per ; Bjelkmar, Pär ; Apostolov, Rossen ; Shirts, Michael R ; Smith, Jeremy C ; Kasson, Peter M ; van der Spoel, David ; Hess, Berk ; Lindahl, Erik
Bioinformatics, 2013-04, Vol.29 (7), p.845-854 [Periódico revisado por pares]England: Oxford University Press
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