Molecular Modeling in Drug Design

Rebecca Wade, Outi Salo-Ahen (Herausgeber)

Buch | Softcover

220 Seiten

2019
MDPI (Verlag)
9783038976141 (ISBN)

Infos

This book is a printed edition of the Special Issue Molecular Modeling in Drug Design that was published in Molecules

Produkt-Details

• Erscheinungsdatum: 05.04.2019
• Verlagsort: Basel
• Sprache: englisch
• Maße: 170 x 244 mm
• Themenwelt: Medizin / Pharmazie ► Pharmazie
• Themenwelt: Naturwissenschaften ► Chemie ► Allgemeines / Lexika
• Schlagworte: adenosine • adenosine receptor • Adenosine Receptors • Adhesion • Aggregation • all-atom molecular dynamics simulation • allosterism • Alzheimer’s disease • amyloid fibrils • AR ligands • Artificial Intelligence • AutoGrid • binding affinity • biophenols • boron cluster • cosolvent molecular dynamics • Deep learning • De novo design • density-based clustering • Docking • drug design • drug discovery • Dynamic Light Scattering • enzymatic assays • EphA2-ephrin A1 • extracellular loops • FimH • Fragment Screening • grid maps • human ecto-5′-nucleotidase • Hyperlipidemia • in silico screening • interaction energy • Ligand binding • ligand–protofiber interactions • Mechanical Stability • Metadynamics • Method Development • Molecular Docking • molecular dynamics • Molecular Dynamics Simulation • Molecular Modeling • molecular recognition • Natural Compounds • Neural networks • PPI inhibition • probe energies • promiscuous mechanism • property prediction • Protein-peptide interactions • protein protein interactions • proteins • quantitative structure-activity relationship (QSAR) • quantitative structure-property prediction (QSPR) • Rational drug design • resultant dipole moment • scoring function • solvent effect • squalene synthase (SQS) • steered molecular dynamics • structure-based drug design • target-focused pharmacophore modeling • Traditional Chinese Medicine • Turbidimetry • Virtual Screening
• ISBN-13: 9783038976141 / 9783038976141
• Zustand: Neuware