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pubmed-article:17397537pubmed:abstractTextAccurate 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. Specifically constructed knowledge-based potentials appear to be promising for accounting for the solvation at the molecular level, yet have not been used for this purpose.lld:pubmed
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pubmed-article:17397537pubmed:articleTitleAtomic hydration potentials using a Monte Carlo Reference State (MCRS) for protein solvation modeling.lld:pubmed
pubmed-article:17397537pubmed:affiliationInstitute of Genetics and Selection of Industrial Microorganisms, State Research Centre GosNIIgenetika, Moscow, Russia. sergeira@genetika.rulld:pubmed
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