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Atomic hydration potentials using a Monte Carlo Reference State (MCRS) for protein solvation modeling
BACKGROUND: Accurate description of protein interaction with aqueous solvent is crucial for modeling of protein folding, protein-protein interaction, and drug design. Efforts to build a working description of solvation, both by continuous models and by molecular dynamics, yield controversial results...
| Autores principales: | , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2007
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1852318/ https://www.ncbi.nlm.nih.gov/pubmed/17397537 http://dx.doi.org/10.1186/1472-6807-7-19 |