000			03358nam a22005055i 4500
001			978-1-4939-9752-7
003			DE-He213
005			20260610083634.0
007			cr nn 008mamaa
008			190826s2019 xxu| s |||| 0|eng d
020			_a9781493997527 _9978-1-4939-9752-7
024	7		_a10.1007/978-1-4939-9752-7 _2doi
050		4	_aRM300-666
072		7	_aMMG _2bicssc
072		7	_aMED071000 _2bisacsh
072		7	_aMKG _2thema
082	0	4	_a615 _223
245	1	0	_aDocking Screens for Drug Discovery _h[electronic resource] / _cedited by Walter Filgueira de Azevedo Jr.
250			_a1st ed. 2019.
264		1	_aNew York, NY : _bSpringer New York : _bImprint: Humana, _c2019.
300			_aXVII, 286 p. 163 illus., 10 illus. in color. _bonline resource.
336			_atext _btxt _2rdacontent
337			_acomputer _bc _2rdamedia
338			_aonline resource _bcr _2rdacarrier
347			_atext file _bPDF _2rda
490	1		_aMethods in Molecular Biology, _x1940-6029 ; _v2053
505	0		_aBuilding Machine-Learning Scoring Functions for Structure-Based Prediction of Intermolecular Binding Affinity -- Integrating Molecular Docking and Molecular Dynamics Simulations -- How Docking Programs Work -- SAnDReS: A Computational Tool for Docking -- Electrostatic Energy in Protein-Ligand Complexes -- Van der Waals Potential in Protein Complexes -- Hydrogen-Bonds in Protein-Ligand Complexes -- Molecular Dynamics Simulations with NAMD2 -- Docking with AutoDock4 -- Molegro Virtual Docker for Docking -- Docking with GemDock -- Docking with SwissDock -- Molecular Docking Simulations with ArgusLab -- Web Services for Molecular Docking Simulations -- Homology Modeling of Protein Targets with MODELLER -- Machine Learning to Predict Binding Affinity -- Exploring the Scoring Function Space.
520			_aThis book focuses on recent developments in docking simulations for target proteins with chapters on specific techniques or applications for docking simulations, including the major docking programs. Additionally, the volume explores the scoring functions developed for the analysis of docking results and to predict ligand-binding affinity as well as the importance of docking simulations for the initial stages of drug discovery. Written for the highly successful Methods in Molecular Biology series, this collection presents the kind of detail and key implementation advice to ensure successful results. Authoritative and practical, Docking Screens for Drug Discovery aims to serve those interested in molecular docking simulation and also in the application of these methodologies for drug discovery.
650		0	_aPharmacology.
650		0	_aProteins .
650		0	_aBioinformatics.
650	1	4	_aPharmacology.
650	2	4	_aProtein Biochemistry.
650	2	4	_aComputational and Systems Biology.
700	1		_ade Azevedo Jr., Walter Filgueira. _eeditor. _4edt _4http://id.loc.gov/vocabulary/relators/edt
710	2		_aSpringerLink (Online service)
773	0		_tSpringer Nature eBook
776	0	8	_iPrinted edition: _z9781493997510
776	0	8	_iPrinted edition: _z9781493997534
776	0	8	_iPrinted edition: _z9781493997541
830		0	_aMethods in Molecular Biology, _x1940-6029 ; _v2053
856	4	0	_uhttps://doi.org/10.1007/978-1-4939-9752-7
912			_aZDB-2-PRO
999			_c5711 _d5711