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ABSINTH: A new continuum solvation model for simulations of polypeptides in aqueous solutions
A new implicit solvation model for use in Monte Carlo simulations of polypeptides is introduced. The model is termed ABSINTH for self-Assembly of Biomolecules Studied by an Implicit, Novel, and Tunable Hamiltonian. It is designed primarily for simulating conformational equilibria and oligomerization...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
2009
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2670230/ https://ncbi.nlm.nih.gov/pubmed/18506808 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21005 |
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