Supplementary Files for Journal -- Using multiscale molecular modeling to analyze possible NS2b-NS3 protease inhibitors from medicinal plants endemic to the Philippines
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Table S1. ADMET and toxicity results of the test ligands. Table S2. Docking results of test ligands and references on NS2b-NS3 protease (2FOM) using Autodock 4.2. Table S3. Decomposition of binding free energy (kJ/mol) on a per residue basis of the complex with strongest MM/PBSA energies
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2023-10-03
