Molecular Modeling in Drug Design
Seiten
2019
MDPI (Verlag)
978-3-03897-614-1 (ISBN)
MDPI (Verlag)
978-3-03897-614-1 (ISBN)
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This book is a printed edition of the Special Issue Molecular Modeling in Drug Design that was published in Molecules
| Erscheinungsdatum | 05.04.2019 |
|---|---|
| Verlagsort | Basel |
| Sprache | englisch |
| Maße | 170 x 244 mm |
| Themenwelt | Medizin / Pharmazie ► Pharmazie |
| 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-10 | 3-03897-614-8 / 3038976148 |
| ISBN-13 | 978-3-03897-614-1 / 9783038976141 |
| Zustand | Neuware |
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