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Multiscale Simulations of Protein Landscapes: Using Coarse Grained Models as Reference Potentials to Full Explicit Models

Evaluating the free energy landscape of proteins and the corresponding functional aspects presents a major challenge for computer simulation approaches. This challenge is due to the complexity of the landscape and the enormous computer time needed for converging simulations. The use of simplified co...

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Hlavní autoři: Messer, Benjamin M., Roca, Maite, Chu, Zhen T., Vicatos, Spyridon, Kilshtain, Alexandra Vardi, Warshel, Arieh
Médium: Artigo
Jazyk:Inglês
Vydáno: 2010
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC2822134/
https://ncbi.nlm.nih.gov/pubmed/20052756
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.22640
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