Details der Publikation - Computational methods for GPCR drug discovery

Computational methods for GPCR drug discovery / edited by Alexander Heifetz

Medienart:	Buch

Erscheinungsjahr:	[2018] © 2018
Erschienen:	New York, N.Y: Humana Press ; 2018 © 2018

Reihe:	Methods in molecular biology - 1705 Springer protocols

Sprache:	Englisch

Beteiligte Personen:	Heifetz, Alexander [HerausgeberIn]

Links:	Inhaltstext www.springer.com

ISBN:	978-1-4939-7464-1 1-4939-7464-5

BKL:	44.40 / Pharmazie / Pharmazeutika 44.42 / Pharmazeutische Chemie
Themen:	Arzneimittelforschung Aufsatzsammlung Drug Delivery Systems Drug delivery systems G proteins G-Protein gekoppelter Rezeptor Laboratory Manuals Protein drugs Receptors, G-Protein-Coupled

RVK:	RVK Klassifikation VC 6250

Anmerkungen:	Includes bibliographical references and index

Umfang:	xi, 436 Seiten ; Illustrationen ; 25.4 cm x 17.8 cm

doi:	10.1007/978-1-4939-7465-8

funding:
Förderinstitution / Projekttitel:

PPN (Katalog-ID):	1010434322

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505	8	0	\|t Current and future challenges in GPCR drug discovery \|r Sid Topiol
505	8	0	\|t Characterization of ligand binding to GPCRs through computational methods \|r Silvana Vasile, Mauricio Esguerra, Willem Jespers, Ana Oliveira, Jessica Sallander, Johan Aqvist, and Hugo Gutierrez-de-Teran
505	8	0	\|t Breakthrough in GPCR crystallography and its impact on computer-aided drug design \|r Antonella Ciancetta and Kenneth A. Jacobson
505	8	0	\|t Structural framework for GPCR chemogenomics : what's in a residue number? \|r Marton Vass, Albert J. Kooistra, Stefan Verhoeven, David Gloriam, Iwan J.P. de Esch, and Chris de Graaf
505	8	0	\|t GPCR homology model generation for lead optimization \|r Christofer S. Tautermann
505	8	0	\|t GPCRs : what can we learn from molecular dynamics simulations? \|r Naushad Velgy, George Hedger, and Philip C. Biggin
505	8	0	\|t Methods of exploring protein-ligand interactions to guide medicinal chemistry efforts \|r Paul Labute
505	8	0	\|t Exploring GPCR-ligand interactions with the fragment molecular orbital (FMO) method \|r Ewa I. Chudyk, Laurie Sarrat, Matteo Aldeghi, Dmitri G. Fedorov, Mike J. Bodkin, Tim James, Michelle Southey, Roger Robinson, Inaki Morao, and Alexander Heifetz
505	8	0	\|t Molecular basis of ligand dissociation from G protein-coupled receptors and predicting residence time \|r Dong Guo and Adriaan P. IJzerman
505	8	0	\|t Methodologies for the examination of water in GPCRs \|r Andrea Bortolato, Benjamin G. Tehan, Robert T. Smith, and Jonathan S. Mason
505	8	0	\|t Methods for virtual screening of GPCR targets : approaches and challenges \|r Jason B. Cross
505	8	0	\|t Approaches for differentiation and interconverting GPCR agonists and antagonists \|r Przemysław Miszta, Jakub Jakowiecki, Ewelina Rutkowska Maria Turant, Dorota Latek, and Sławomir Filipek
505	8	0	\|t Opportunities and challenges in the discovery of allosteric modulators of GPCRs \|r Damian Bartuzi, Agnieszka A. Kaczor, and Dariusz Matosiuk
505	8	0	\|t Challenges and opportunities in drug discovery of biased ligands \|r Ismael Rodrıguez-Espigares, Agnieszka A. Kaczor, Tomasz Maciej Stepniewski, and Jana Selent
505	8	0	\|t Synergistic use of GPCR modeling and SDM experiments to understand ligand binding \|r Andrew Potterton, Alexander Heifetz, and Andrea Townsend-Nicholson
505	8	0	\|t Computational support of medicinal chemistry in industrial settings \|r Daniel F. Ortwine
505	8	0	\|t Investigating small-molecule ligand binding to G protein-coupled receptors with biased or unbiased molecular dynamics simulations \|r Kristen A. Marino and Marta Filizola
505	8	0	\|t Ligand-based methods in GPCR computer-aided drug design \|r Paul C.D. Hawkins and Gunther Stahl
505	8	0	\|t Computational methods used in hit-to-lead and lead optimization stages of structure-based drug discovery \|r Alexander Heifetz, Michelle Southey, Inaki Morao, Andrea Townsend-Nicholson, and Mike J. Bodkin
505	8	0	\|t Cheminformatics in the service of GPCR drug discovery \|r Tim James
505	8	0	\|t Modeling and deorphanization of orphan GPCRs \|r Constantino Diaz, Patricia Angelloz-Nicoud, and Emilie Pihan.
650		0	\|a G proteins \|x Receptors \|v Laboratory manuals
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Computational methods for GPCR drug discovery / edited by Alexander Heifetz

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