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. 2020 Sep 8;8:797. doi: 10.3389/fbioe.2020.00797

TABLE 2.

Comparison of docking and binding energy scores (Kcal/mol) of potential shortlisted interface peptides targeting conserved RNAP β/transcription factor interface.

Peptide ID Docking Score Glide gScore Van der Waals energy Coulomb energy Glide Emodel Glide energy
1 –8.681 –8.795 –31.402 –26.689 –104.005 –58.091
2 –8.558 –8.574 –27.588 –26.531 –93.136 –54.123
3 –7.573 –7.944 –25.91 –27.19 –84.506 –53.124
4 –5.138 –5.382 –21.872 –11.086 –27.365 –32.598