Structure-Based Drug Design [electronic resource] / edited by Marcelo A. Marti, Adrian Gustavo Turjanski, Dario Fernández Do Porto.

Colaborador(es): Marti, Marcelo A [editor.] | Turjanski, Adrian Gustavo [editor.] | Fernández Do Porto, Dario [editor.] | SpringerLink (Online service)Tipo de material: TextoTextoSeries Computer-Aided Drug Discovery and Design ; 2Editor: Cham : Springer International Publishing : Imprint: Springer, 2024Edición: 1st ed. 2024Descripción: IX, 256 p. 80 illus., 70 illus. in color. online resourceTipo de contenido: text Tipo de medio: computer Tipo de portador: online resourceISBN: 9783031691621Tema(s): Medicine -- Research | Biology -- Research | Pharmacology | Drugs -- Design | Pharmaceutical chemistry | Pharmacy | Biomedical Research | Pharmacology | Structure-Based Drug Design | Pharmaceutics | PharmacyFormatos físicos adicionales: Printed edition:: Sin título; Printed edition:: Sin título; Printed edition:: Sin títuloClasificación CDD: 610.72 Clasificación LoC:R850.A1-854QH315-320Recursos en línea: Libro electrónicoTexto
Contenidos:
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.
En: Springer Nature eBookResumen: 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.
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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.

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.

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