Publication Date:
2008-08-09
Description:
Relentless increases in the size and performance of multiprocessor computers, coupled with new algorithms and methods, have led to novel applications of simulations across chemistry. This Perspective focuses on the use of classical molecular dynamics and so-called coarse-grain models to explore phenomena involving self-assembly in complex fluids and biological systems.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Klein, Michael L -- Shinoda, Wataru -- GM 40712/GM/NIGMS NIH HHS/ -- New York, N.Y. -- Science. 2008 Aug 8;321(5890):798-800. doi: 10.1126/science.1157834.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Center for Molecular Modeling, Department of Chemistry, University of Pennsylvania, Philadelphia, PA 19104, USA. klein@lrsm.upenn.edu〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/18687954" target="_blank"〉PubMed〈/a〉
Keywords:
*Computer Simulation
;
Macromolecular Substances/*chemistry
;
Membrane Lipids/chemistry
;
Membrane Proteins/*chemistry
;
*Membranes, Artificial
;
*Models, Molecular
;
Nerve Tissue Proteins/chemistry
;
Protein Conformation
;
Protein Structure, Tertiary
;
Surface-Active Agents/*chemistry
Print ISSN:
0036-8075
Electronic ISSN:
1095-9203
Topics:
Biology
,
Chemistry and Pharmacology
,
Computer Science
,
Medicine
,
Natural Sciences in General
,
Physics
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