Introduction to molecular dynamics simulations
نویسندگان
چکیده
منابع مشابه
An Introduction to Ab Initio Molecular Dynamics Simulations
c 2006 by John von Neumann Institute for Computing Permission to make digital or hard copies of portions of this work for personal or classroom use is granted provided that the copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. To copy otherwise requires prior specific permission by the publisher mentio...
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Large biological molecules are frequently represented by a single three-dimensional structure, but in reality, under physiological conditions, they are dynamic entities in constant motion. One important theoretical technique for analyzing both motions and energetics and the roles they play in macromolecular structure and function is a form of simulation termed molecular dynamics. The field of o...
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ژورنال
عنوان ژورنال: American Journal of Physics
سال: 2020
ISSN: 0002-9505,1943-2909
DOI: 10.1119/10.0000654