Methodological considerations on molecular dynamics simulations of DNA oligonucleotides
作者:
D. L. Beveridge,
S. Swaminathan,
G. Ravishanker,
J. Withka,
J. Srinivasan,
C. Pre´vost,
S. Louise‐May,
F. M. DiCapua,
P. H. Bolton,
期刊:
AIP Conference Proceedings
(AIP Available online 1991)
卷期:
Volume 239,
issue 1
页码: 311-328
ISSN:0094-243X
年代: 1991
DOI:10.1063/1.41314
出版商: AIP
数据来源: AIP
摘要:
Methodological aspects of solvent effects, simulation protocol, analysis and visualization of results, accuracy, and sensitivity of results to force field parametrization are discussed for molecular dynamics simulation on oligonucleotides. Recent results comparing AMBER, CHARMM and GROMOS force fields are included. The calculation of build‐up curves for the nuclear Overhauser effect from simulations is also described.
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