- Home
- Publications
- Publication Search
- Publication Details
Title
How μ-opioid receptor recognizes fentanyl
Authors
Keywords
-
Journal
Nature Communications
Volume 12, Issue 1, Pages -
Publisher
Springer Science and Business Media LLC
Online
2021-02-12
DOI
10.1038/s41467-021-21262-9
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Alternative proton-binding site and long-distance coupling inEscherichia colisodium–proton antiporter NhaA
- (2020) Jack A. Henderson et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Fentanyl Family at the Mu-Opioid Receptor: Uniform Assessment of Binding and Computational Analysis
- (2019) Piotr Lipiński et al. MOLECULES
- Molecular dynamics of fentanyl bound to μ-opioid receptor
- (2019) Piotr F. J. Lipiński et al. JOURNAL OF MOLECULAR MODELING
- Modulation of mu‐opioid receptor activation by acidic pH is dependent on ligand structure and an ionizable amino acid residue
- (2019) Johanna Meyer et al. BRITISH JOURNAL OF PHARMACOLOGY
- β-Fluorofentanyls Are pH-Sensitive Mu Opioid Receptor Agonists
- (2019) Ricardo Rosas et al. ACS Medicinal Chemistry Letters
- DARK Classics in Chemical Neuroscience: Fentanyl
- (2018) S. Mallory Burns et al. ACS Chemical Neuroscience
- Predicting opioid receptor binding affinity of pharmacologically unclassified designer substances using molecular docking
- (2018) Christopher R. Ellis et al. PLoS One
- Intracellular Transfer of Na + in an Active-State G-Protein-Coupled Receptor
- (2018) Owen N. Vickery et al. STRUCTURE
- Exploring a new ligand binding site of G protein-coupled receptors
- (2018) H.C. Stephen Chan et al. Chemical Science
- Opioid receptor signaling, analgesic and side effects induced by a computationally designed pH-dependent agonist
- (2018) Viola Spahn et al. Scientific Reports
- Structure of the µ-opioid receptor–Gi protein complex
- (2018) Antoine Koehl et al. NATURE
- Fentanyl: Receptor pharmacology, abuse potential, and implications for treatment
- (2018) Sandra D. Comer et al. NEUROSCIENCE AND BIOBEHAVIORAL REVIEWS
- Constant pH Molecular Dynamics Reveals How Proton Release Drives the Conformational Transition of a Transmembrane Efflux Pump
- (2017) Zhi Yue et al. Journal of Chemical Theory and Computation
- A nontoxic pain killer designed by modeling of pathological receptor conformations
- (2017) V. Spahn et al. SCIENCE
- How Oliceridine (TRV-130) Binds and Stabilizes a μ-Opioid Receptor Conformational State That Selectively Triggers G Protein Signaling Pathways
- (2016) Sebastian Schneider et al. BIOCHEMISTRY
- Further along the Road Less Traveled: AMBER ff15ipq, an Original Protein Force Field Built on a Self-Consistent Physical Model
- (2016) Karl T. Debiec et al. Journal of Chemical Theory and Computation
- All-Atom Continuous Constant pH Molecular Dynamics With Particle Mesh Ewald and Titratable Water
- (2016) Yandong Huang et al. Journal of Chemical Theory and Computation
- Conformational Activation of a Transmembrane Proton Channel from Constant pH Molecular Dynamics
- (2016) Wei Chen et al. Journal of Physical Chemistry Letters
- CHARMM36m: an improved force field for folded and intrinsically disordered proteins
- (2016) Jing Huang et al. NATURE METHODS
- Mechanism of pH-dependent activation of the sodium-proton antiporter NhaA
- (2016) Yandong Huang et al. Nature Communications
- WESTPA: An Interoperable, Highly Scalable Software Package for Weighted Ensemble Simulation and Analysis
- (2015) Matthew C. Zwier et al. Journal of Chemical Theory and Computation
- CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
- (2015) Jumin Lee et al. Journal of Chemical Theory and Computation
- Structural insights into µ-opioid receptor activation
- (2015) Weijiao Huang et al. NATURE
- Structural Determinants for the Binding of Morphinan Agonists to the μ-Opioid Receptor
- (2015) Xiaojing Cong et al. PLoS One
- Fentanyl-related compounds and derivatives: current status and future prospects for pharmaceutical applications
- (2014) Ruben S Vardanyan et al. Future Medicinal Chemistry
- POVME 2.0: An Enhanced Tool for Determining Pocket Shape and Volume Characteristics
- (2014) Jacob D. Durrant et al. Journal of Chemical Theory and Computation
- Simultaneous Computation of Dynamical and Equilibrium Information Using a Weighted Ensemble of Trajectories
- (2014) Ernesto Suárez et al. Journal of Chemical Theory and Computation
- Allosteric sodium in class A GPCR signaling
- (2014) Vsevolod Katritch et al. TRENDS IN BIOCHEMICAL SCIENCES
- The Role of Water and Sodium Ions in the Activation of the μ-Opioid Receptor
- (2013) Shuguang Yuan et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data
- (2013) Daniel R. Roe et al. Journal of Chemical Theory and Computation
- Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges
- (2012) K. Vanommeslaeghe et al. Journal of Chemical Information and Modeling
- Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles
- (2012) Robert B. Best et al. Journal of Chemical Theory and Computation
- Crystal structure of the µ-opioid receptor bound to a morphinan antagonist
- (2012) Aashish Manglik et al. NATURE
- Efficient Explicit-Solvent Molecular Dynamics Simulations of Molecular Association Kinetics: Methane/Methane, Na+/Cl−, Methane/Benzene, and K+/18-Crown-6 Ether
- (2011) Matthew C. Zwier et al. Journal of Chemical Theory and Computation
- Continuous Constant pH Molecular Dynamics in Explicit Solvent with pH-Based Replica Exchange
- (2011) Jason A. Wallace et al. Journal of Chemical Theory and Computation
- OPM database and PPM web server: resources for positioning of proteins in membranes
- (2011) Mikhail A. Lomize et al. NUCLEIC ACIDS RESEARCH
- Progress in the prediction of pKa values in proteins
- (2011) Emil Alexov et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Uniform assessment and ranking of opioid Mu receptor binding constants for selected opioid drugs
- (2011) Donna A. Volpe et al. REGULATORY TOXICOLOGY AND PHARMACOLOGY
- POVME: An algorithm for measuring binding-pocket volumes
- (2010) Jacob D. Durrant et al. JOURNAL OF MOLECULAR GRAPHICS & MODELLING
- Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types
- (2010) Jeffery B. Klauda et al. JOURNAL OF PHYSICAL CHEMISTRY B
- CHARMM: The biomolecular simulation program
- (2009) B. R. Brooks et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started