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

Biophysical journal - 1 Oct 1999

Sen S, Nilsson L

Abstract excerpt

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 data. The modifications which were experimentally found unfavorable compared to the wild-type complex were also...

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Identifiers

PMID: 10512804
DOI: 10.1016/S0006-3495(99)77025-6
PMCID: PMC1300465

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