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Fast In Silico Protein Folding by Introduction of Alternating Hydrogen Bond Potentials
We accelerate protein folding in all-atom molecular dynamics simulations by introducing alternating hydrogen bond potentials as a supplement to the force field. The alternating hydrogen bond potentials result in accelerated hydrogen bond reordering, which leads to rapid formation of secondary struct...
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| Autori principali: | , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
The Biophysical Society
2008
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2367207/ https://ncbi.nlm.nih.gov/pubmed/18434590 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.107.122192 |
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