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Table 4 MMGBSA analysis for all the complexes

From: In silico identification of phytochemical inhibitors for multidrug-resistant tuberculosis based on novel pharmacophore generation and molecular dynamics simulation studies

Complex

VDWAALS

EEL

ESURF

EGB

DELTA TOTAL kcal/mole

RpsA-NPC227485

−32.8640

−15.0445

−3.9041

29.2027

−22.6100

RpsA-NPC6836

−24.2607

−4.1676

−2.2783

10.1116

−20.5950

RpsA-NPC227980

−28.8158

−5.3400

−3.5226

14.3454

−23.3331

RpsA-ZrI15

−19.6302

−2.6766

−2.5421

12.8009

−12.0480