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Table 3 Binding free energy calculation of the protein ligand complex using MM/GBSA methods

From: Screening and identification of potential inhibitor for visceral leishmaniasis (VL) through computational analysis

Compound ID ΔG bind (Kcal/mol) Interaction residues
Maybridge_489 − 55.951 TYP_324, ASP_285, LYS_36,
Enamine_87271 − 52.317 ARG-383, ASN-384
Specs_104059 − 58.666 TYR-324, GLN-322, PHE-11,SER-42