GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
نویسندگان
چکیده
منابع مشابه
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
MOTIVATION Molecular simulation has historically been a low-throughput technique, but faster computers and increasing amounts of genomic and structural data are changing this by enabling large-scale automated simulation of, for instance, many conformers or mutants of biomolecules with or without a range of ligands. At the same time, advances in performance and scaling now make it possible to mo...
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ژورنال
عنوان ژورنال: Bioinformatics
سال: 2013
ISSN: 1460-2059,1367-4803
DOI: 10.1093/bioinformatics/btt055