Computational Methods for GPCR Drug Discovery

Häftad, Engelska, 2018

Del i serien Methods in Molecular Biology

1 199 kr

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Beskrivning

This volume looks at modern computational strategies and techniques used in GPCR drug discovery including structure and ligand-based approaches and cheminformatics.

Produktinformation

Utgivningsdatum:2018-08-30
Mått:178 x 254 x 25 mm
Vikt:837 g
Format:Häftad
Språk:Engelska
Serie:Methods in Molecular Biology
Antal sidor:436
Förlag:Humana Press Inc.
ISBN:9781493984947

Utforska kategorier

Farmakologi inom Medicin

Innehållsförteckning

Current and Future Challenges in GPCR Drug Discovery.- Characterization of Ligand Binding to GPCRs through Computational Methods.- Breakthrough in GPCR Crystallography and its Impact on Computer-Aided Drug Design.- A Structural Framework for GPCR Chemogenomics: What’s in a Residue Number?.- GPCR Homology Model Generation for Lead Optimization.- GPCRs: What Can We Learn from Molecular Dynamics Simulations?.- Methods of Exploring Protein-Ligand Interactions to Guide Medicinal Chemistry Efforts.- Exploring GPCR-Ligand Interactions with the Fragment Molecular Orbital (FMO) Method.- Molecular Basis of Ligand Dissociation from G Protein-Coupled Receptors and Predicting Residence Time.- Methodologies for the Examination of Water in GPCRs.- Methods for Virtual Screening of GPCR Targets: Approaches and Challenges.- Approaches for Differentiation and Interconverting GPCR Agonists and Antagonists.- Opportunities and Challenges in the Discovery of Allosteric Modulators of GPCRs.- Challenges andOpportunities in Drug Discovery of Biased Ligands.- Synergistic Use of GPCR Modeling and SDM Experiments to Understand Ligand Binding.- Computational Support of Medicinal Chemistry Effort in Industrial Setting.- Investigating Small-Molecule Ligand Binding to G Protein-Coupled Receptors with Biased or Unbiased Molecular Dynamics Simulations.- Ligand-Based Methods in GPCR Computer-Aided Drug Design.- Computational Methods Used in Hit-to-Lead and Lead Optimization Stages of Structure-Based Drug Discovery.- Cheminformatics in the Service of GPCR Drug Discovery.- Modeling and Deorphanization of Orphan GPCRs.