Skip to main content

Table 8 Free binding energy calculations of stable complexes during the last 25 ns (250 frames) of the molecular dynamic simulation (order of the increased values of the free binding energy)

From: Genomic landscape of the emerging XDR Salmonella Typhi for mining druggable targets clpP, hisH, folP and gpmI and screening of novel TCM inhibitors, molecular docking and simulation analyses

Target-Inhibitor Complex ID

ΔG (kcal/mol) for 250 frames

STY0490_ ZINC19340748

−7.2039

STY4091_ ZINC32918650

−2.9975

STY2284_ ZINC09319798

−2.2178

STY3473_ ZINC00494142

−1.6335

Back to article page

BMC Microbiology

ISSN: 1471-2180

Contact us