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most citedCalculation of absolute free energy of binding for theophylline and its analogs to RNA aptamer using nonequilibrium work values

18 citations · 18 across the 1 of their papers we have counts for

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cond-mat.soft2007★ 18 cited

Calculation of absolute free energy of binding for theophylline and its analogs to RNA aptamer using nonequilibrium work values

Yoshiaki Tanida, Masakatsu Ito, Hideaki Fujitani

The massively parallel computation of absolute binding free energy with a well-equilibrated system (MP-CAFEE) has been developed [H. Fujitani, Y. Tanida, M. Ito, G. Jayachandran, C…