Predicted MM-GBSA free energies (kcal/mol) and individual energy terms of the thrombin-inhibitor complexes for selected compounds.
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a Experimental ΔΔG was calculated using ΔG of compound 133 as reference.Predicted MM-GBSA free energies (kcal/mol) and individual energy terms of the thrombin-inhibitor complexes for selected compounds.
创建时间：
2015-12-03
