Computer-Aided Drug Discovery

Häftad, Engelska, 2018

Del i serien Methods in Pharmacology and Toxicology

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Beskrivning

This detailed volume examines computer-aided drug discovery (CADD), a crucial component of modern drug discovery programs that is widely utilized to identity and optimize bioactive compounds for the development of new drugs.

Produktinformation

Utgivningsdatum:2018-05-26
Mått:178 x 254 x 18 mm
Vikt:605 g
Format:Häftad
Språk:Engelska
Serie:Methods in Pharmacology and Toxicology
Antal sidor:305
Förlag:Humana Press Inc.
ISBN:9781493980659

Utforska kategorier

Farmakologi inom Medicin

Innehållsförteckning

Molecular Dynamics Simulations and Computer-Aided Drug Discovery.- A Review of Evolutionary Algorithms for Computing Functional Conformations of Protein Molecules.- Incorporating Receptor Flexibility into Structure-Based Drug Discovery.- Understanding Water and Its Many Roles in Biological Structure: Ways to Exploit a Resource for Drug Discovery.- CAVITY: Mapping the Druggable Binding Site.- Methods for Detecting Protein Binding Interfaces.- MDock: An Ensemble Docking Suite for Molecular Docking, Scoring, and In Silico Screening.- Pharmacophore Modeling: Methods and Applications.- Computational Fragment-Based Drug Design.- Applications of the Fragment Molecular Orbital Method to Drug Research.- Recent Advances in the Open Access Cheminformatics Toolkits, Software Tools, Workflow Environments, and Databases.