Titel:	Computational methods for GPCR drug discovery
Mitwirkende:	Heifetz, Alexander [HerausgeberIn]
Verf.angabe:	edited by Alexander Heifetz
Verlagsort:	New York, N.Y
Verlag:	Humana Press
E-Jahr:	2018
Jahr:	[2018]
Umfang:	xi, 436 Seiten
Illustrationen:	Illustrationen
Format:	25.4 cm x 17.8 cm
Gesamttitel/Reihe:	Methods in molecular biology ; 1705
	Springer protocols
Fussnoten:	Includes bibliographical references and index
Ang. zum Inhalt:	Current and future challenges in GPCR drug discovery / Sid Topiol
	Characterization of ligand binding to GPCRs through computational methods / Silvana Vasile, Mauricio Esguerra, Willem Jespers, Ana Oliveira, Jessica Sallander, Johan Aqvist, and Hugo Gutierrez-de-Teran
	Breakthrough in GPCR crystallography and its impact on computer-aided drug design / Antonella Ciancetta and Kenneth A. Jacobson
	Structural framework for GPCR chemogenomics : what's in a residue number? / Marton Vass, Albert J. Kooistra, Stefan Verhoeven, David Gloriam, Iwan J.P. de Esch, and Chris de Graaf
	GPCR homology model generation for lead optimization / Christofer S. Tautermann
	GPCRs : what can we learn from molecular dynamics simulations? / Naushad Velgy, George Hedger, and Philip C. Biggin
	Methods of exploring protein-ligand interactions to guide medicinal chemistry efforts / Paul Labute
	Exploring GPCR-ligand interactions with the fragment molecular orbital (FMO) method / Ewa I. Chudyk, Laurie Sarrat, Matteo Aldeghi, Dmitri G. Fedorov, Mike J. Bodkin, Tim James, Michelle Southey, Roger Robinson, Inaki Morao, and Alexander Heifetz
	Molecular basis of ligand dissociation from G protein-coupled receptors and predicting residence time / Dong Guo and Adriaan P. IJzerman
	Methodologies for the examination of water in GPCRs / Andrea Bortolato, Benjamin G. Tehan, Robert T. Smith, and Jonathan S. Mason
	Methods for virtual screening of GPCR targets : approaches and challenges / Jason B. Cross
	Approaches for differentiation and interconverting GPCR agonists and antagonists / Przemysław Miszta, Jakub Jakowiecki, Ewelina Rutkowska Maria Turant, Dorota Latek, and Sławomir Filipek
	Opportunities and challenges in the discovery of allosteric modulators of GPCRs / Damian Bartuzi, Agnieszka A. Kaczor, and Dariusz Matosiuk
	Challenges and opportunities in drug discovery of biased ligands / Ismael Rodrıguez-Espigares, Agnieszka A. Kaczor, Tomasz Maciej Stepniewski, and Jana Selent
	Synergistic use of GPCR modeling and SDM experiments to understand ligand binding / Andrew Potterton, Alexander Heifetz, and Andrea Townsend-Nicholson
	Computational support of medicinal chemistry in industrial settings / Daniel F. Ortwine
	Investigating small-molecule ligand binding to G protein-coupled receptors with biased or unbiased molecular dynamics simulations / Kristen A. Marino and Marta Filizola
	Ligand-based methods in GPCR computer-aided drug design / Paul C.D. Hawkins and Gunther Stahl
	Computational methods used in hit-to-lead and lead optimization stages of structure-based drug discovery / Alexander Heifetz, Michelle Southey, Inaki Morao, Andrea Townsend-Nicholson, and Mike J. Bodkin
	Cheminformatics in the service of GPCR drug discovery / Tim James
	Modeling and deorphanization of orphan GPCRs / Constantino Diaz, Patricia Angelloz-Nicoud, and Emilie Pihan.
ISBN:	978-1-4939-7464-1
	1-4939-7464-5
Bestellnr.:	Bestellnummer: 978-1-4939-7464-1
	Bestellnummer: 86851931
DOI:	doi:10.1007/978-1-4939-7465-8
URL:	Inhaltstext: http://deposit.dnb.de/cgi-bin/dokserv?id=c97607c887e5464287ce5794959da15c&prov=M&dok_var=1&dok_ext=htm
	Verlag: http://www.springer.com/
	DOI: https://doi.org/10.1007/978-1-4939-7465-8
Schlagwörter:	(s)G-Protein gekoppelter Rezeptor    / (s)Arzneimittelforschung
Dokumenttyp:	Aufsatzsammlung
Sprache:	eng
RVK-Notation:	VC 6250
K10plus-PPN:	1010434322
Verknüpfungen:	→ Übergeordnete Aufnahme