Ligand Pose Predictions for Human G Protein-Coupled Receptors: Insights from the Amber-Based Hybrid Molecular Mechanics/Coarse-Grained Approach-Reference-Cited by-同舟云学术

Ligand Pose Predictions for Human G Protein-Coupled Receptors: Insights from the Amber-Based Hybrid Molecular Mechanics/Coarse-Grained Approach

Published:2020-07-31 Issue:10 Volume:60 Page:5103-5116
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Schneider Jakob¹²³^ORCID,Korshunova Ksenia¹²^ORCID,Si Chaib Zeineb¹⁴^ORCID,Giorgetti Alejandro¹⁵⁶^ORCID,Alfonso-Prieto Mercedes¹⁶⁷^ORCID,Carloni Paolo¹²³⁶^ORCID

Affiliation:

1. Computational Biomedicine, Institute for Advanced Simulations IAS-5/Institute for Neuroscience and Medicine INM-9, Forschungszentrum Jülich GmbH, 52428 Jülich, Germany

2. Department of Physics, RWTH Aachen University, 52074 Aachen, Germany

3. JARA-Institute: Molecular Neuroscience and Neuroimaging, Institute for Neuroscience and Medicine INM-11/JARA-BRAIN Institute JBI-2, Forschungszentrum Jülich GmbH, 52428 Jülich, Germany

4. RWTH Aachen University, 52062 Aachen, Germany

5. Department of Biotechnology, University of Verona, 37314 Verona, Italy

6. JARA−HPC, IAS-5/INM-9 Computational Biomedicine, Forschungszentrum Jülich GmbH, 52428 Jülich, Germany

7. Cecile and Oskar Vogt Institute for Brain Research, Medical Faculty, Heinrich Heine University Düsseldorf, 40225 Düsseldorf, Germany

Funder

Ernesto Illy Foundation

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.0c00661

Reference119 articles.

1. GPCRdb in 2018: adding GPCR structure models and ligands

2. Pharmacogenomics of GPCR Drug Targets

3. Beyond the Flavour: The Potential Druggability of Chemosensory G Protein-Coupled Receptors

4. Therapeutic potential of ectopic olfactory and taste receptors

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