Supplementary Files for Journal -- Using multiscale molecular modeling to analyze possible NS2b-NS3 protease inhibitors from medicinal plants endemic to the Philippines

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