Wordt geladen...

pK(a) of residue 66 in Staphylococal nuclease. I. Insights from QM/MM simulations with conventional sampling

A combined quantum mechanical/molecular mechanical (QM/MM) potential function is used in a thermodynamic integration approach to calculate the pK(a) of residue 66 in two mutants (V66E, V66D) of Staphylococal nuclease relative to solution. Despite the similarity in chemical nature and experimentally...

Volledige beschrijving

Bewaard in:
Bibliografische gegevens
Hoofdauteurs: Ghosh, Nilanjan, Cui, Qiang
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: 2008
Onderwerpen:
Online toegang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2562727/
https://ncbi.nlm.nih.gov/pubmed/18540669
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp800168z
Tags: Voeg label toe
Geen labels, Wees de eerste die dit record labelt!