Molecular Modeling in Drug Design

Wade, Rebecca; Salo-Ahen, Outi

doi:10.3390/books978-3-03897-615-8

dc.contributor.author	Wade, Rebecca	*
dc.contributor.author	Salo-Ahen, Outi	*
dc.date.accessioned	2021-02-11T20:05:06Z
dc.date.available	2021-02-11T20:05:06Z
dc.date.issued	2019	*
dc.date.submitted	2019-04-05 10:34:31	*
dc.identifier	32831	*
dc.identifier.uri	https://directory.doabooks.org/handle/20.500.12854/53851
dc.description.abstract	This book is a printed edition of the Special Issue Molecular Modeling in Drug Design that was published in Molecules	*
dc.language	English	*
dc.subject	QD1-999	*
dc.subject	Q1-390	*
dc.subject.classification	thema EDItEUR::P Mathematics and Science::PN Chemistry	en_US
dc.subject.other	metadynamics	*
dc.subject.other	natural compounds	*
dc.subject.other	virtual screening	*
dc.subject.other	probe energies	*
dc.subject.other	molecular dynamics simulation	*
dc.subject.other	human ecto-5?-nucleotidase	*
dc.subject.other	neural networks	*
dc.subject.other	quantitative structure-activity relationship (QSAR)	*
dc.subject.other	artificial intelligence	*
dc.subject.other	allosterism	*
dc.subject.other	in silico screening	*
dc.subject.other	drug discovery	*
dc.subject.other	amyloid fibrils	*
dc.subject.other	mechanical stability	*
dc.subject.other	adenosine receptors	*
dc.subject.other	adenosine receptor	*
dc.subject.other	ligand binding	*
dc.subject.other	promiscuous mechanism	*
dc.subject.other	AutoGrid	*
dc.subject.other	dynamic light scattering	*
dc.subject.other	resultant dipole moment	*
dc.subject.other	density-based clustering	*
dc.subject.other	Alzheimer’s disease	*
dc.subject.other	drug design	*
dc.subject.other	biophenols	*
dc.subject.other	enzymatic assays	*
dc.subject.other	all-atom molecular dynamics simulation	*
dc.subject.other	fragment screening	*
dc.subject.other	adenosine	*
dc.subject.other	docking	*
dc.subject.other	molecular docking	*
dc.subject.other	cosolvent molecular dynamics	*
dc.subject.other	turbidimetry	*
dc.subject.other	squalene synthase (SQS)	*
dc.subject.other	molecular recognition	*
dc.subject.other	protein-peptide interactions	*
dc.subject.other	extracellular loops	*
dc.subject.other	FimH	*
dc.subject.other	binding affinity	*
dc.subject.other	rational drug design	*
dc.subject.other	de novo design	*
dc.subject.other	hyperlipidemia	*
dc.subject.other	AR ligands	*
dc.subject.other	aggregation	*
dc.subject.other	property prediction	*
dc.subject.other	PPI inhibition	*
dc.subject.other	deep learning	*
dc.subject.other	proteins	*
dc.subject.other	quantitative structure-property prediction (QSPR)	*
dc.subject.other	protein protein interactions	*
dc.subject.other	boron cluster	*
dc.subject.other	target-focused pharmacophore modeling	*
dc.subject.other	ligand–protofiber interactions	*
dc.subject.other	structure-based drug design	*
dc.subject.other	scoring function	*
dc.subject.other	grid maps	*
dc.subject.other	solvent effect	*
dc.subject.other	adhesion	*
dc.subject.other	molecular dynamics	*
dc.subject.other	Traditional Chinese Medicine	*
dc.subject.other	steered molecular dynamics	*
dc.subject.other	interaction energy	*
dc.subject.other	EphA2-ephrin A1	*
dc.subject.other	molecular modeling	*
dc.subject.other	method development	*
dc.title	Molecular Modeling in Drug Design	*
dc.type	book
oapen.identifier.doi	10.3390/books978-3-03897-615-8	*
oapen.relation.isPublishedBy	46cabcaa-dd94-4bfe-87b4-55023c1b36d0	*
oapen.relation.isbn	9783038976141	*
oapen.pages	220	*
oapen.edition	1st	*

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