Computational Methods for GPCR Drug Discovery
Humana Press Inc. (Verlag)
978-1-4939-7464-1 (ISBN)
Cutting-edge and unique,Computational Methods for GPCR Drug Discovery is a valuable resource for structural and molecular biologists, computational and medicinal chemists, pharmacologists, and drug designers.
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.
Erscheinungsdatum | 22.12.2017 |
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Reihe/Serie | Methods in Molecular Biology ; 1705 |
Zusatzinfo | 102 Illustrations, color; 9 Illustrations, black and white; XI, 436 p. 111 illus., 102 illus. in color. |
Verlagsort | Totowa, NJ |
Sprache | englisch |
Maße | 178 x 254 mm |
Themenwelt | Medizin / Pharmazie ► Medizinische Fachgebiete ► Pharmakologie / Pharmakotherapie |
Medizin / Pharmazie ► Pharmazie | |
Schlagworte | binding kinetics • cheminformatics • Chemogenomics • Computational Biology • Computer Techniques • drug design • GPCR modeling • G protein-coupled receptors • Ligand binding • pharmaceuticals • Pharmazie |
ISBN-10 | 1-4939-7464-5 / 1493974645 |
ISBN-13 | 978-1-4939-7464-1 / 9781493974641 |
Zustand | Neuware |
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