Structural and Computational-Driven Molecule Design in Drug Discovery (Hardcover) (ISBN-13: 9783725810147)

This Special Issue aimed to provide deep mechanistic insights into strategies in structural dynamics studies and computational methods. The areas of research included but were not limited to the following: structural dynamics studies, computer-aided drug designs, molecular dynamic simulations, molecular docking, virtual screening, QSAR, and in silico ADMET analyses.