Molecular dynamics simulations of biomolecules. Export

@article{citeulike:273341, abstract = {Molecular dynamics simulations are important tools for understanding the physical basis of the structure and function of biological macromolecules. The early view of proteins as relatively rigid structures has been replaced by a dynamic model in which the internal motions and resulting conformational changes play an essential role in their function. This review presents a brief description of the origin and early uses of biomolecular simulations. It then outlines some recent studies that illustrate the utility of such simulations and closes with a discussion of their ever-increasing potential for contributing to biology.}, address = {Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138, USA. marci@tammy.harvard.edu}, author = {Karplus, M. and McCammon, J. A.}, citeulike-article-id = {273341}, citeulike-linkout-0 = {http://dx.doi.org/10.1038/nsb0902-646}, citeulike-linkout-1 = {http://dx.doi.org/10.1038/nsb0902-646}, citeulike-linkout-2 = {http://view.ncbi.nlm.nih.gov/pubmed/12198485}, citeulike-linkout-3 = {http://www.hubmed.org/display.cgi?uids=12198485}, doi = {10.1038/nsb0902-646}, issn = {1072-8368}, journal = {Nat Struct Biol}, keywords = {molecular\_dynamics, pedagogical}, month = {September}, number = {9}, pages = {646--652}, posted-at = {2009-02-18 21:53:43}, priority = {2}, title = {Molecular dynamics simulations of biomolecules.}, url = {http://dx.doi.org/10.1038/nsb0902-646}, volume = {9}, year = {2002} }

TY - JOUR ID - citeulike:273341 L3 - citeulike-article-id:273341 N2 - Molecular dynamics simulations are important tools for understanding the physical basis of the structure and function of biological macromolecules. The early view of proteins as relatively rigid structures has been replaced by a dynamic model in which the internal motions and resulting conformational changes play an essential role in their function. This review presents a brief description of the origin and early uses of biomolecular simulations. It then outlines some recent studies that illustrate the utility of such simulations and closes with a discussion of their ever-increasing potential for contributing to biology. IS - 9 JF - Nat Struct Biol SN - 1072-8368 AD - Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138, USA. marci@tammy.harvard.edu EP - 652 TI - Molecular dynamics simulations of biomolecules. VL - 9 SP - 646 KW - molecular_dynamics KW - pedagogical AU - Karplus, M AU - McCammon, JA PY - 2002/09// UR - http://dx.doi.org/10.1038/nsb0902-646 ER -