03444nam a22006375i 4500 978-3-031-69162-1 DE-He213 20251030113143.0 cr nn 008mamaa 241015s2024 sz | s |||| 0|eng d 9783031691621 978-3-031-69162-1 10.1007/978-3-031-69162-1 doi R850.A1-854 QH315-320 MBGR bicssc MED106000 bisacsh MBGR thema Structure-Based Drug Design [electronic resource] / edited by Marcelo A. Marti, Adrian Gustavo Turjanski, Dario Fernández Do Porto. 1st ed. 2024. Cham : Springer International Publishing : Imprint: Springer, 2024. IX, 256 p. 80 illus., 70 illus. in color. online resource. text txt rdacontent computer c rdamedia online resource cr rdacarrier text file PDF rda Computer-Aided Drug Discovery and Design, 2730-5465 ; 2 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. 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. Medicine Research. 62598 Biology Research. 65629 Pharmacology. 67844 Drugs Design. 64861 Pharmaceutical chemistry. 67843 Pharmacy. 64666 Biomedical Research. 65633 Pharmacology. 67844 Structure-Based Drug Design. 71118 Pharmaceutics. 67846 Pharmacy. 64666 Marti, Marcelo A. editor. edt http://id.loc.gov/vocabulary/relators/edt 86043 Turjanski, Adrian Gustavo. editor. edt http://id.loc.gov/vocabulary/relators/edt 86044 Fernández Do Porto, Dario. editor. edt http://id.loc.gov/vocabulary/relators/edt 86045 SpringerLink (Online service) Springer Nature eBook Printed edition: 9783031691614 Printed edition: 9783031691638 Printed edition: 9783031691645 Computer-Aided Drug Discovery and Design, 2730-5465 ; 2 86046 https://doi.org/10.1007/978-3-031-69162-1 ZDB-2-SBL ZDB-2-SXB 64211 64211