Salsbury, Freddie R., Jr.
Molecular dynamics simulations of protein dynamics and their relevance to drug discovery
CURRENT OPINION IN PHARMACOLOGY, 10:738-744, DEC 2010

Molecular dynamics simulations have become increasingly useful in studying biological systems of biomedical interest, and not just in the study of model or toy systems In this article, the methods and principles of all-atom molecular dynamics will be elucidated with several examples provided of their utility to investigators interested on drug discovery

DOI:10.1016/j.coph.2010.09.016

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