Structure-Based Drug Design

This volume focuses on target-oriented approximations to drug discovery, including target selection, binding pocket detection, and current uses and variants of molecular dynamics and molecular docking. The primary audience is PhD and graduates working in the field of molecular biology, structural biology, pharmaceutical sciences.

Prioritizing Drug Targets in Pathogenic Bacteria by Harnessing Structural Biology, Metabolic Analysis, and Omics Data Integration. - Regulatory small RNAs as antimicrobial drug targets. - Riboswitches as antimicrobial targets. - Pre-selection of compounds for lead identification in virtual screening campaigns. - Docking and Bias Docking. - Molecular Dynamics and its Significance in Drug Discovery. - Deep Learning Strategies for Enhanced Molecular Docking and Virtual Screening. - Integrating computational approaches from non-synonymous sequence variations to molecular structure for drug repositioning targeting the SARS-CoV-2 Spike protein.