Dopamine D3 receptor antagonist reveals a cryptic pocket in aminergic GPCRs
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Title
Dopamine D3 receptor antagonist reveals a cryptic pocket in aminergic GPCRs
Authors
Keywords
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Journal
Scientific Reports
Volume 8, Issue 1, Pages -
Publisher
Springer Nature
Online
2018-01-11
DOI
10.1038/s41598-018-19345-7
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Note: Only part of the references are listed.- Toward Understanding the Structural Basis of Partial Agonism at the Dopamine D3 Receptor
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- (2017) Alexander S. Hauser et al. NATURE REVIEWS DRUG DISCOVERY
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- 1,2,4-Triazolyl octahydropyrrolo[2,3-b]pyrroles: A new series of potent and selective dopamine D3 receptor antagonists
- (2016) Fabrizio Micheli et al. BIOORGANIC & MEDICINAL CHEMISTRY
- GPCRdb: the G protein-coupled receptor database - an introduction
- (2016) C Munk et al. BRITISH JOURNAL OF PHARMACOLOGY
- GPCR Dynamics: Structures in Motion
- (2016) Naomi R. Latorraca et al. CHEMICAL REVIEWS
- Ligand Binding Pathways of Clozapine and Haloperidol in the Dopamine D2 and D3 Receptors
- (2016) Trayder Thomas et al. Journal of Chemical Information and Modeling
- HTMD: High-Throughput Molecular Dynamics for Molecular Discovery
- (2016) S. Doerr et al. Journal of Chemical Theory and Computation
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- (2016) Melanie P. Wescott et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Multibody cofactor and substrate molecular recognition in the myo-inositol monophosphatase enzyme
- (2016) Noelia Ferruz et al. Scientific Reports
- Insights from Fragment Hit Binding Assays by Molecular Simulations
- (2015) Noelia Ferruz et al. Journal of Chemical Information and Modeling
- Identifying Medication Targets for Psychostimulant Addiction: Unraveling the Dopamine D3 Receptor Hypothesis
- (2015) Thomas M. Keck et al. JOURNAL OF MEDICINAL CHEMISTRY
- Protein conformational plasticity and complex ligand-binding kinetics explored by atomistic simulations and Markov models
- (2015) Nuria Plattner et al. Nature Communications
- On-the-Fly Learning and Sampling of Ligand Binding by High-Throughput Molecular Simulations
- (2014) S. Doerr et al. Journal of Chemical Theory and Computation
- Identification of slow molecular order parameters for Markov model construction
- (2013) Guillermo Pérez-Hernández et al. JOURNAL OF CHEMICAL PHYSICS
- Automated Force Field Parameterization for Nonpolarizable and Polarizable Atomic Models Based on Ab Initio Target Data
- (2013) Lei Huang et al. Journal of Chemical Theory and Computation
- Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments
- (2013) G. Madhavi Sastry et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Molecular signatures of G-protein-coupled receptors
- (2013) A. J. Venkatakrishnan et al. NATURE
- Cloud-based simulations on Google Exacycle reveal ligand modulation of GPCR activation pathways
- (2013) Kai J. Kohlhoff et al. Nature Chemistry
- Molecular Determinants of Selectivity and Efficacy at the Dopamine D3 Receptor
- (2012) Amy Hauck Newman et al. JOURNAL OF MEDICINAL CHEMISTRY
- Improving the CHARMM Force Field for Polyunsaturated Fatty Acid Chains
- (2012) Jeffery B. Klauda et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Synthesis and characterization of selective dopamine D2 receptor ligands using aripiprazole as the lead compound
- (2011) Suwanna Vangveravong et al. BIOORGANIC & MEDICINAL CHEMISTRY
- Conformational Dynamics of Single G Protein-Coupled Receptors in Solution
- (2011) Samuel Bockenhauer et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Activation mechanism of the 2-adrenergic receptor
- (2011) R. O. Dror et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Pathway and mechanism of drug binding to G-protein-coupled receptors
- (2011) Ron O. Dror et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulations
- (2011) I. Buch et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Current perspectives on selective dopamine D3 receptor antagonists as pharmacotherapeutics for addictions and related disorders
- (2010) Christian A. Heidbreder et al. Annals of the New York Academy of Sciences
- Current perspectives on the selective regulation of dopamine D2 and D3 receptors
- (2010) Dong Im Cho et al. ARCHIVES OF PHARMACAL RESEARCH
- High-Throughput All-Atom Molecular Dynamics Simulations Using Distributed Computing
- (2010) I. Buch et al. Journal of Chemical Information and Modeling
- Structure of the Human Dopamine D3 Receptor in Complex with a D2/D3 Selective Antagonist
- (2010) E. Y. T. Chien et al. SCIENCE
- Progress and challenges in the automated construction of Markov state models for full protein systems
- (2009) Gregory R. Bowman et al. JOURNAL OF CHEMICAL PHYSICS
- ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale
- (2009) M. J. Harvey et al. Journal of Chemical Theory and Computation
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