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Using DelPhi capabilities to mimic protein’s conformational reorganization with amino acid specific dielectric constants

Many molecular events are associated with small or large conformational changes occurring in the corresponding proteins. Modeling such changes is a challenge and requires significant amount of computing time. From point of view of electrostatics, these changes can be viewed as a reorganization of lo...

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Hlavní autoři: Wang, Lin, Zhang, Zhe, Rocchia, Walter, Alexov, Emil
Médium: Artigo
Jazyk:Inglês
Vydáno: 2012
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC3966310/
https://ncbi.nlm.nih.gov/pubmed/24683422
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