Molecular Modeling in Drug Design

• Autore: Wade Rebecca
• Pubblicazione: MDPI - Multidisciplinary Digital Publishing Institute, 2019
• Descrizione fisica: 1 online resource (220 p.)
• Soggetto topico: Chemistry
• Soggetto non controllato: 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; de novo design; deep learning; 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 protein interactions; protein-peptide 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
• Persona (resp. second.): Salo-AhenOuti
• Sommario/riassunto: This book is a printed edition of the Special Issue Molecular Modeling in Drug Design that was published in Molecules
• Titolo autorizzato: Molecular Modeling in Drug Design
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Lingua di pubblicazione: Inglese
• Record Nr.: 9910346839403321
• Lo trovi qui: Univ. Federico II