An introduction of molecular dynamics simulation

被引：2

作者：

Miyagawa, H

Kitamura, K

机构：

[1] Medicinal Research Laboratories, Taisho Pharmaceutical Co., LTD., Oomiya-shi, Saitama 330, No.403

来源：

JOURNAL OF SYNTHETIC ORGANIC CHEMISTRY JAPAN | 1997年 / 55卷 / 05期

关键词：

molecular dynamics; simulation; free energy perturbation; special purpose computer; combined molecular orbital and molecular dynamics method; phospholipid bilayer;

D O I：

10.5059/yukigoseikyokaishi.55.402

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

It has been received that molecular dynamics simulation is a powerful tool to elucidate molecular behavior and physical property based on atomic level through many applications since Alder's first trial for the phase transition for a hard sphere system in 1957. Today, the use of this method is more increasing with the progress of computer hardware and of simulation software. Here, molecular dynamics simulation is reviewed in both technical and application aspects.

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页码：402 / 409

页数：8

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