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

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.