Measuring the successes and deficiencies of constant pH molecular dynamics: A blind prediction study

A constant pH molecular dynamics method has been used in the blind prediction of pK(a) values of titratable residues in wild type and mutated structures of the Staphylococcal nuclease (SNase) protein. The predicted values have been subsequently compared to experimental values provided by the laborat...

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Detaylı Bibliyografya
Asıl Yazarlar: Williams, Sarah L, Blachly, Patrick G, McCammon, J Andrew
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: Wiley Subscription Services, Inc., A Wiley Company 2011
Konular:
Research Articles
Online Erişim:https://ncbi.nlm.nih.gov/pmc/articles/PMC3227005/
https://ncbi.nlm.nih.gov/pubmed/22072520
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.23136
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