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During molecular docking procedure, Coulombic interactions, freezing of rotatable bonds, hydrophobic contacts, intermolecular hydrogen bonds, metal bond formations, polar contacts, the penalty for buried polar groups, van der Waals interactions, solvent (water) desolvation energy, and binding affinity elevating intermolecular contacts formation were allowed in the XP docking scoring protocol 47,48
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This fundamental difference makes it particularly appealing for long-term protocols
Nat Rev Drug Discov 2011;10:62137
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