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020			_a9781493924868
024	7		_a10.1007/978-1-4939-2486-8 _2doi
040			_aES-MaUEC _bspa _cES-MaUEC _dES-MaUEC
050		4	_aRS420 _b2015 EB
245	0	0	_aFragment-Based Methods in Drug Discovery _cedited by Anthony E. Klon
250			_a1st edition 2015
264		1	_aNew York, NY _bSpringer International Publishing _c2015
300			_a1 recurso en línea (IX, 230 páginas) _b68 ilustraciones, 53 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 Molecular Biology _x1940-6029 _v1289
505	0		_aSolvation Methods for Protein-Ligand Docking -- Binding Site Druggability Assessment in Fragment-Based Drug Design -- Generating "Fragment-Based Virtual Library" Using Pocket Similarity Search of Ligand-Receptor Complexes -- Virtual Fragment Preparation for Computational Fragment-Based Drug Design -- Fragment Library Design: Using Cheminformatics and Expert Chemists to Fill Gaps in Existing Fragment Libraries -- Protocol for Fragment Hopping -- Site Identification by Ligand Competitive Saturation (SILCS) Simulations for Fragment-Based Drug Design -- A Computational Fragment-Based De Novo Design Protocol Guided by Ligand Efficiency Indices (LEI) -- Scoring Functions for Fragment-Based Drug Discovery -- Computational Methods for Fragment-Based Ligand Design: Growing and Linking -- Design Strategies for Computational Fragment-Based Drug Design -- Protein Binding Site Analysis for Drug Discovery Using a Computational Fragment-Based Method -- Fragment-Based Design of Kinase Inhibitors: A Practical Guide -- Designing a Small Molecule Erythropoietin Mimetic -- Designing an Orally Available Non-Toxic p38 Inhibitor with a Fragment-Based Strategy.
520			_aThis volume covers the techniques necessary for a successful fragment-based drug design project, beginning from defining the problem in terms of preparing the protein model, identifying potential binding sites, and the consideration of various candidate fragments for simulation. The second part discusses the technical aspects that various methods have used to simulate fragment binding to a target protein by using Monte Carlo, molecular dynamics, and docking algorithms. After simulations, fragments are assembled into molecules using a variety of approaches, which are explored next. A discussion of design strategies and consideration of drug-like properties is included as part of the design process at this stage. Finally, several examples of successful fragment-based drug design projects are presented. Written for the Methods in Molecular Biology series, this work contains the kind of detailed description and implementation advice to encourage success in the lab. Practical and cutting-edge, Fragment-Based Methods in Drug Discovery takes into account the great accomplishments in the field to provide an ideal guide for researchers continuing to investigate this exciting area of pharmacological study.
988			_aSpringer_Protocols_2015
650		7	_2embne _9183058 _aFarmacología _xInvestigación
776	0	8	_iPrinted edition: _z9781493924875
776	0	8	_iPrinted edition: _z9781493924851
776	0	8	_iPrinted edition: _z9781493946143
856	4	0	_uhttps://go.openathens.net/redirector/universidadeuropea.es?url=https://doi.org/10.1007/978-1-4939-2486-8 _zAcceso a este recurso digital (usuarios Universidad Europea de Madrid)
942			_2lcc _cLE
998			_b01/2024 _dz _eIG _zSI