Intermolecular energies of the compounds in binding pocket of <i>Pb</i>ICL.
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1Lennard-Jones Energies inside the shortest cutof (Short-Range); 2Coulomb potential within rcoulomb cutof (Short-Range); 3non-bonded terms only were considered; aAccessible Surface Area (ASA) to the solvent in binding pocket of PbICL. §Accessible Surface Area to the solvent of the compound without the presence of PbICL, but maintaining its conformation conferred in the binding pocket.
创建时间：
2014-04-21
