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DIRECT-ID: An Automated Method to Identify and Quantify Conformational Variations - Application to β(2)-adrenergic GPCR

The conformational dynamics of a macromolecule can be modulated by a number of factors, including changes in environment, ligand binding and interactions with other macromolecules, among others. We present a method that quantifies the differences in macromolecular conformational dynamics and automat...

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Pubblicato in:J Comput Chem
Autori principali: Lakkaraju, Sirish Kaushik, Lemkul, Justin A., Huang, Jing, MacKerell, Alexander D.
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2015
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC4756637/
https://ncbi.nlm.nih.gov/pubmed/26558323
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.24231
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