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A gradient-directed Monte Carlo approach for protein designHu, X; Hu, H; Beratan, DN; Yang, W2010125
Hepatitis C virus NS5B polymerase: QM/MM calculations show the important role of the internal energy in ligand bindingParks, JM; Kondru, RK; Hu, H; Beratan, DN; Yang, W200879
Tunneling energy effects on GC oxidation in DNATong, GSM; Kurnikov, IV; Beratan, DN2002107
Hole size and energetics in double helical DNA: Competition between quantum delocalization and solvation localizationKurnikov, IV; Tong, GSM; Madrid, M; Beratan, DN2002111
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