Free energy calculations and molecular dynamics simulations of wild-type and variants of the DNA-EcoRI complex.

Molecular dynamics simulations and free energy calculations of the wild-type EcoRI-DNA complex and several variants have been performed in aqueous solvent. In general, he theoretical estimations of the free energy differences (DeltaDeltaA) qualitatively agree well with the corresponding experimental...

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Bibliographic Details
Main Authors: Sen, S, Nilsson, L
Format: Artigo
Language:Inglês
Published: 1999
Subjects:
Research Article
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC1300465/
https://ncbi.nlm.nih.gov/pubmed/10512804
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