Detalhe da pesquisa
1.
Positive allosteric mechanisms of adenosine A1 receptor-mediated analgesia.
Nature;
597(7877): 571-576, 2021 09.
Artigo
em Inglês
| MEDLINE
| ID: mdl-34497422
2.
Structure-Based Virtual Screening for Ligands of G Protein-Coupled Receptors: What Can Molecular Docking Do for You?
Pharmacol Rev;
73(4): 527-565, 2021 10.
Artigo
em Inglês
| MEDLINE
| ID: mdl-34907092
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.
GPCRmd uncovers the dynamics of the 3D-GPCRome.
Nat Methods;
17(8): 777-787, 2020 08.
Artigo
em Inglês
| MEDLINE
| ID: mdl-32661425
5.
Northerly range expansion and first confirmed records of the smalltooth sand tiger shark, Odontaspis ferox, in the United Kingdom and Ireland.
J Fish Biol;
103(6): 1549-1555, 2023 Dec.
Artigo
em Inglês
| MEDLINE
| ID: mdl-37602958
6.
Development and Characterization of Novel Selective, Non-Basic Dopamine D2 Receptor Antagonists for the Treatment of Schizophrenia.
Molecules;
28(10)2023 May 20.
Artigo
em Inglês
| MEDLINE
| ID: mdl-37241951
7.
Design of Drug Efficacy Guided by Free Energy Simulations of the ß2 -Adrenoceptor.
Angew Chem Int Ed Engl;
62(22): e202218959, 2023 05 22.
Artigo
em Inglês
| MEDLINE
| ID: mdl-36914577
8.
Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
J Am Chem Soc;
144(7): 2905-2920, 2022 02 23.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35142215
9.
Potential origins of fish toti-like viruses in invertebrates.
J Gen Virol;
103(9)2022 09.
Artigo
em Inglês
| MEDLINE
| ID: mdl-36125358
10.
Can molecular dynamics simulations improve the structural accuracy and virtual screening performance of GPCR models?
PLoS Comput Biol;
17(5): e1008936, 2021 05.
Artigo
em Inglês
| MEDLINE
| ID: mdl-33983933
11.
Performance of virtual screening against GPCR homology models: Impact of template selection and treatment of binding site plasticity.
PLoS Comput Biol;
16(3): e1007680, 2020 03.
Artigo
em Inglês
| MEDLINE
| ID: mdl-32168319
12.
Structure-Guided Design of G-Protein-Coupled Receptor Polypharmacology.
Angew Chem Int Ed Engl;
60(33): 18022-18030, 2021 08 09.
Artigo
em Inglês
| MEDLINE
| ID: mdl-33904641
13.
Energy Landscapes Reveal Agonist Control of G Protein-Coupled Receptor Activation via Microswitches.
Biochemistry;
59(7): 880-891, 2020 02 25.
Artigo
em Inglês
| MEDLINE
| ID: mdl-31999436
14.
Scavenging of superoxide by a membrane-bound superoxide oxidase.
Nat Chem Biol;
14(8): 788-793, 2018 08.
Artigo
em Inglês
| MEDLINE
| ID: mdl-29915379
15.
Nanopore whole genome sequencing and partitioned phylogenetic analysis supports a new salmonid alphavirus genotype (SAV7).
Dis Aquat Organ;
142: 203-211, 2020 Dec 17.
Artigo
em Inglês
| MEDLINE
| ID: mdl-33331288
16.
Genetic diversity of piscine myocarditis virus in Atlantic salmon Salmo salar L. in Ireland.
J Fish Dis;
42(8): 1161-1168, 2019 Aug.
Artigo
em Inglês
| MEDLINE
| ID: mdl-31169311
17.
Prediction of Ordered Water Molecules in Protein Binding Sites from Molecular Dynamics Simulations: The Impact of Ligand Binding on Hydration Networks.
J Chem Inf Model;
58(2): 350-361, 2018 02 26.
Artigo
em Inglês
| MEDLINE
| ID: mdl-29308882
18.
Role of aspartate 132 at the orifice of a proton pathway in cytochrome c oxidase.
Proc Natl Acad Sci U S A;
110(22): 8912-7, 2013 May 28.
Artigo
em Inglês
| MEDLINE
| ID: mdl-23674679
19.
Molecular docking screening using agonist-bound GPCR structures: probing the A2A adenosine receptor.
J Chem Inf Model;
55(3): 550-63, 2015 Mar 23.
Artigo
em Inglês
| MEDLINE
| ID: mdl-25625646
20.
Insights into the role of Asp79(2.50) in ß2 adrenergic receptor activation from molecular dynamics simulations.
Biochemistry;
53(46): 7283-96, 2014 Nov 25.
Artigo
em Inglês
| MEDLINE
| ID: mdl-25347607