Detalhe da pesquisa
1.
Decoding the signaling of a GPCR heteromeric complex reveals a unifying mechanism of action of antipsychotic drugs.
Cell
; 147(5): 1011-23, 2011 Nov 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-22118459
2.
GPCRmd uncovers the dynamics of the 3D-GPCRome.
Nat Methods
; 17(8): 777-787, 2020 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-32661425
3.
Publisher Correction: GPCRmd uncovers the dynamics of the 3D-GPCRome.
Nat Methods
; 17(8): 861-862, 2020 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-32704182
4.
De Novo Design of κ-Opioid Receptor Antagonists Using a Generative Deep-Learning Framework.
J Chem Inf Model
; 63(16): 5056-5065, 2023 08 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-37555591
5.
Predicted Mode of Binding to and Allosteric Modulation of the µ-Opioid Receptor by Kratom's Alkaloids with Reported Antinociception In Vivo.
Biochemistry
; 60(18): 1420-1429, 2021 05 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-33274929
6.
Cryo-Electron Microscopy Structure of the αIIbß3-Abciximab Complex.
Arterioscler Thromb Vasc Biol
; 40(3): 624-637, 2020 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-31969014
7.
Mechanism of µ-Opioid Receptor-Magnesium Interaction and Positive Allosteric Modulation.
Biophys J
; 118(4): 909-921, 2020 02 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-31676132
8.
Atomic-Level Characterization of the Methadone-Stabilized Active Conformation of µ-Opioid Receptor.
Mol Pharmacol
; 98(4): 475-486, 2020 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-32680919
9.
Kinetic and thermodynamic insights into sodium ion translocation through the µ-opioid receptor from molecular dynamics and machine learning analysis.
PLoS Comput Biol
; 15(1): e1006689, 2019 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-30677023
10.
A combination of machine learning and infrequent metadynamics to efficiently predict kinetic rates, transition states, and molecular determinants of drug dissociation from G protein-coupled receptors.
J Chem Phys
; 153(12): 124105, 2020 Sep 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-33003748
11.
Single Proteoliposome High-Content Analysis Reveals Differences in the Homo-Oligomerization of GPCRs.
Biophys J
; 115(2): 300-312, 2018 07 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-30021106
12.
Development of novel biosensors to study receptor-mediated activation of the G-protein α subunits Gs and Golf.
J Biol Chem
; 292(49): 19989-19998, 2017 12 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-29042444
13.
An efficient strategy to estimate thermodynamics and kinetics of G protein-coupled receptor activation using metadynamics and maximum caliber.
J Chem Phys
; 149(22): 224101, 2018 Dec 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-30553249
14.
Impact of Lipid Composition and Receptor Conformation on the Spatio-temporal Organization of µ-Opioid Receptors in a Multi-component Plasma Membrane Model.
PLoS Comput Biol
; 12(12): e1005240, 2016 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-27959924
15.
How Oliceridine (TRV-130) Binds and Stabilizes a µ-Opioid Receptor Conformational State That Selectively Triggers G Protein Signaling Pathways.
Biochemistry
; 55(46): 6456-6466, 2016 Nov 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-27778501
16.
Preferred supramolecular organization and dimer interfaces of opioid receptors from simulated self-association.
PLoS Comput Biol
; 11(3): e1004148, 2015 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-25822938
17.
Inward-facing conformation of the zinc transporter YiiP revealed by cryoelectron microscopy.
Proc Natl Acad Sci U S A
; 110(6): 2140-5, 2013 Feb 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-23341604
18.
Talin-driven inside-out activation mechanism of platelet αIIbß3 integrin probed by multimicrosecond, all-atom molecular dynamics simulations.
Proteins
; 82(12): 3231-3240, 2014 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-24677266
19.
Bioactive conformations of two seminal delta opioid receptor penta-peptides inferred from free-energy profiles.
Biopolymers
; 101(1): 21-7, 2014 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-23564013
20.
Structural insights into the unexpected agonism of tetracyclic antidepressants at serotonin receptors 5-HT1eR and 5-HT1FR.
Sci Adv
; 10(16): eadk4855, 2024 Apr 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-38630816