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Table 3 The summary of successfully predicted models for Pseudomonas aeruginosa

From: QSAR, homology modeling, and docking simulation on SARS-CoV-2 and pseudomonas aeruginosa inhibitors, ADMET, and molecular dynamic simulations to find a possible oral lead candidate

Filename

molpdf

DOPE score

GA341 score

qseq.B99990001.pdb

530.59882

−12190.35352

1.00000

qseq.B99990002.pdb

676.84918

−11866.63574

1.00000

qseq.B99990003.pdb

560.30042

−12064.89746

1.00000

qseq.B99990004.pdb

554.58264

−12033.17285

1.00000

qseq.B99990005.pdb

574.89307

−12037.96191

1.00000

qseq.B99990006.pdb

767.39117

−11957.61328

1.00000

qseq.B99990007.pdb

506.20578

−12191.88086

1.00000

qseq.B99990008.pdb

576.82599

−12180.59766

1.00000

qseq.B99990009.pdb

561.56323

−11841.31934

1.00000

qseq.B99990010.pdb

559.25763

−12143.47461

1.00000