학술논문
Calculation of the relative binding free energy of three inhibitors of the photosynthetic reaction center of Rhodopseudomonas viridis using molecular dynamics/free energy perturbation method
Document Type
Academic Journal
Source
Journal of the American Chemical Society. June 3, 1992, Vol. 114 Issue 12, p4762, 8 p. table
Subject
Language
ISSN
0002-7863
Abstract
The relative free energy of binding for three herbicides belonging to the family of symmetric triazines, which inhibit the reaction center of Rhodopseumonas viridis, is measured using molecular dynamics and free energy perturbation methods to elucidate on the effect of various substituents on the binding mode. The relative binding energies of the herbicides follow the sequence prometon < atraton < ametryn.