Molecular mechanics and molecular dynamics simulations of porphyrins, metalloporphyrins, heme proteins and cobalt corrinoids

被引：94

作者：

Marques, HM

Brown, KL

机构：

[1] Univ Witwatersrand, Sch Chem, Inst Mol Sci, ZA-2050 Johannesburg, South Africa

[2] Ohio Univ, Dept Chem & Biochem, Athens, OH 45701 USA

来源：

COORDINATION CHEMISTRY REVIEWS | 2002年 / 225卷 / 1-2期

基金：

新加坡国家研究基金会;

关键词：

molecular mechanics; molecular dynamics simulations; porphyrins; cobalamin; vitamin B-12;

D O I：

10.1016/S0010-8545(01)00411-8

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Molecular mechanics (force field) methods have become popular as an adjunct to traditional methods for the examination of molecular structure, In this review. attention is focused on the use of molecular mechanics (force field) and molecular dynamics methods for the modeling of the structure of porphyrins, metalloporphyrins and hemoproteins, and the cobalt corrinoids (derivatives of vitamin B-12). (C) 2002 Elsevier Science B V All rights reserved.

引用

页码：123 / 158

页数：36

共 381 条

[1] RESONANCE RAMAN-SPECTRA OF OCTAETHYLPORPHYRINATO-NI(II) AND MESO-DEUTERATED AND N-15 SUBSTITUTED DERIVATIVES .2. NORMAL COORDINATE ANALYSIS [J].