Table 2.

Binding free energies and individual energy terms and their standard deviation of NSP15-ZINC000104379474 complex calculated by MM-GBSA. Units are in kcal/mole.

System	∆EVDW	∆EELE	∆GGB	∆GSA	∆GGAS	∆GSOLV	∆GTOTAL	− T∆S	∆GBINDING
NSP15-ZINC000104379474 complex	− 31.08 ± 3.68	− 251.31 ± 15.34	260.34 ± 14.42	− 4.90 ± 0.29	− 282.39 ± 14.63	255.44 ± 14.35	− 26.95 ± 5.18	19.28 ± 2.1	− 7.68 ± 5.59