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Computational method for relative binding energies of enzyme-substrate complexes.

A computational method for estimating the relative binding free energies of enzyme-substrate complexes is described that combines electrostatic and solvation models and X-ray crystallographic data. The polar contribution is evaluated by the Poisson-Boltzman equation. The nonpolar contribution is eva...

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Bibliografske podrobnosti
Main Authors: Zhang, T., Koshland, D. E.
Format: Artigo
Jezik:Inglês
Izdano: Cold Spring Harbor Laboratory Press 1996
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC2143351/
https://ncbi.nlm.nih.gov/pubmed/8745413
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