Structure-Based Drug Design

Structure-Based Drug Design

Turjanski, Adrian Gustavo; Marti, Marcelo A; Fernandez Do Porto, Dario

Springer International Publishing AG

11/2024

256

Dura

9783031691614

Pré-lançamento - envio 15 a 20 dias após a sua edição

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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.
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Structure based drug discovery;cryptic binding pockets;cryptic binding pockets;binding pocket prediction;drug target selection