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Ab initio folding of proteins using all-atom discrete molecular dynamics
Discrete molecular dynamics (DMD) is a rapid sampling method used in protein folding and aggregation studies. Until now, DMD was used to perform simulations of simplified protein models in conjunction with structure-based force fields. Here, we develop an all-atom protein model and a transferable fo...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2008
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2533517/ https://ncbi.nlm.nih.gov/pubmed/18611374 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.str.2008.03.013 |
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