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2004Ensemble variance in free energy calculations by thermodynamic integration: theory, optimal “Alchemical” path, and practical solutions, J Comput Chem 2004 May;25(7):985-93.
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2004Effect of multiple symmetries on the association of R67 DHFR subunits bearing interfacial complementing mutations, Protein Sci. 2004 Jan;13(1):1-14.