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001			234929
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007			cr nn 008mamaa
008			160606s2016 xxu| s |||| 0|eng d
020			_a9781493935215
024	7		_a10.1007/978-1-4939-3521-5 _2doi
040			_aES-MaUEC _bspa _cES-MaUEC
245	1	0	_aComputer-Aided Drug Discovery _cedited by Wei Zhang.
250			_a1st edition 2016
264		1	_aNew York, NY _bSpringer International Publishing _c2016
300			_a1 recurso en línea (XI, 305 páginas) _b59 ilustraciones, 47 ilustraciones a color
336			_atexto _btxt _2rdacontent
337			_aelectrónico _bc _2rdamedia
338			_arecurso electrónico _bcr _2rdacarrier
347			_aarchivo de texto _bPDF
490	0		_aMethods in Pharmacology and Toxicology _x1940-6053
505	0		_aMolecular Dynamics Simulations and Computer-Aided Drug Discovery -- A Review of Evolutionary Algorithms for Computing Functional Conformations of Protein Molecules -- Incorporating Receptor Flexibility into Structure-Based Drug Discovery -- Understanding Water and Its Many Roles in Biological Structure: Ways to Exploit a Resource for Drug Discovery -- CAVITY: Mapping the Druggable Binding Site -- Methods for Detecting Protein Binding Interfaces -- MDock: An Ensemble Docking Suite for Molecular Docking, Scoring, and In Silico Screening -- Pharmacophore Modeling: Methods and Applications -- Computational Fragment-Based Drug Design -- Applications of the Fragment Molecular Orbital Method to Drug Research -- Recent Advances in the Open Access Cheminformatics Toolkits, Software Tools, Workflow Environments, and Databases.
520			_aThis detailed volume examines computer-aided drug discovery (CADD), a crucial component of modern drug discovery programs that is widely utilized to identity and optimize bioactive compounds for the development of new drugs. With a focus on the methods that are commonly used in the early stage of drug discovery, chapters explore computer simulation, structure prediction, conformational sampling, binding site mapping, docking and scoring, in silico screening, and fragment-based drug design. In addition to the state-of-the-art theoretical concept, this book also includes step-by-step, readily reproducible computational protocols as well as examples of various CADD strategies. The limitations and potential pitfalls of different computational methods are discussed by experts, and tips and advice for their applications are suggested. Practical and thorough, Computer-Aided Drug Discovery serves as an ideal addition to the Methods in Pharmacology and Toxicology series, guiding researchers toward their lab's goals with this exciting and versatile technology.
700	1		_aZhang, Wei _eeditor literario _4edt _4http://id.loc.gov/vocabulary/relators/edt
776	0	8	_iPrinted edition: _z9781493935192
776	0	8	_iPrinted edition: _z9781493935208
776	0	8	_iPrinted edition: _z9781493980659
856	4	0	_uhttps://go.openathens.net/redirector/universidadeuropea.es?url=https://doi.org/10.1007/978-1-4939-3521-5 _z(usuarios Universidad Europea de Valencia)
942			_2lcc _cLE
988			_aSpringer_Protocols_2016
999			_c234929 _d234929