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Molecular Dynamics with the United-Residue (UNRES) Force Field. Ab initio Folding Simulations of Multi-chain Proteins

The implementation of molecular dynamics with the United-Residue (UNRES) force field is extended to treat multi-chain proteins. Constant temperature was maintained in the simulations with Berendsen or Langevin thermostats. The method was tested on three α-helical proteins [1G6U and GCN4-p1, each wit...

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Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Prif Awduron: Rojas, Ana V., Liwo, Adam, Scheraga, Harold A.
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: 2007
Pynciau:
Mynediad Ar-lein:https://ncbi.nlm.nih.gov/pmc/articles/PMC2597722/
https://ncbi.nlm.nih.gov/pubmed/17201452
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp065810x
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