Insight parameter drug design for human beta-tryptase inhibition integrated molecular docking, QSAR, molecular dynamics simulation, and pharmacophore modelling studies of alpha-keto--oxadiazoles
C. X. Yu, J. W. Tan, S. Imran, K. Rullah, C. L. Tham
This study develops beta-tryptase inhibitors using 2D-QSAR, molecular docking, MD simulation, and pharmacophore modeling to improve DHF treatment.
bioRxiv · Jul 17, 2022 · PreprintBiochemistry