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Application of MM/PBSA colony free energy to loop decoy discrimination: Toward correlation between energy and root mean square deviation

Accurate free energy estimation is needed in many predictive tasks. The molecular mechanics/Poisson-Boltzmann solvent accessible surface area (MM/PBSA) approach has proven to be accurate. However, the correlation between the estimated free energy and the distance (e.g., root mean square deviation [R...

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מידע ביבליוגרפי
Main Authors: Fogolari, Federico, Tosatto, Silvio C.E.
פורמט: Artigo
שפה:Inglês
יצא לאור: Cold Spring Harbor Laboratory Press 2005
נושאים:
גישה מקוונת:https://ncbi.nlm.nih.gov/pmc/articles/PMC2253447/
https://ncbi.nlm.nih.gov/pubmed/15772305
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1110/ps.041004105
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