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理化学研究所 計算科学研究センター(R-CCS) | RIKEN …...B. Roux JACS(2005) C.L. Brooks PNAS(2007) w j = K rmsd(ΔD rmsd −ΔD min) 2 ΔD rmsd = rmsd(X,X open)−rmsd(X,X
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