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Insights from Free-Energy Calculations: Protein Conformational Equilibrium, Driving Forces, and Ligand-Binding Modes

Accurate free-energy calculations provide mechanistic insights into molecular recognition and conformational equilibrium. In this work, we performed free-energy calculations to study the thermodynamic properties of different states of molecular systems in their equilibrium basin, and obtained accura...

Täydet tiedot

Tallennettuna:
Bibliografiset tiedot
Päätekijät: Huang, Yu-ming M., Chen, Wei, Potter, Michael J., Chang, Chia-en A.
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: The Biophysical Society 2012
Aiheet:
Linkit:https://ncbi.nlm.nih.gov/pmc/articles/PMC3400776/
https://ncbi.nlm.nih.gov/pubmed/22853912
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2012.05.046
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