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.
GPMeta: a GPU-accelerated method for ultrarapid pathogen identification from metagenomic sequences.
Brief Bioinform
; 24(2)2023 03 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-36917170
3.
Mechanistic insights into ligand dissociation from the SARS-CoV-2 spike glycoprotein.
PLoS Comput Biol
; 20(3): e1011955, 2024 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-38452125
4.
Mechanism of Ligand Binding to Theophylline RNA Aptamer.
J Chem Inf Model
; 64(3): 1017-1029, 2024 Feb 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-38226603
5.
Recognition of single-stranded nucleic acids by small-molecule splicing modulators.
Nucleic Acids Res
; 49(14): 7870-7883, 2021 08 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-34283224
6.
Mechanism of Tripeptide Trimming of Amyloid ß-Peptide 49 by γ-Secretase.
J Am Chem Soc
; 144(14): 6215-6226, 2022 04 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-35377629
7.
Predictive value of time-variant color-coded multiphase CT angiography (mCTA) regarding clinical outcome of acute ischemic stroke: in comparison with conventional mCTA and CT perfusion.
Acta Radiol
; 63(1): 84-92, 2022 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-33356350
8.
Molecular Simulations and Drug Discovery of Adenosine Receptors.
Molecules
; 27(7)2022 Mar 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-35408454
9.
Discovery of potent and selective Bcl-2 inhibitors with acyl sulfonamide skeleton.
Bioorg Med Chem
; 47: 116350, 2021 10 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-34536651
10.
Specific Engineered G Protein Coupling to Histamine Receptors Revealed from Cellular Assay Experiments and Accelerated Molecular Dynamics Simulations.
Int J Mol Sci
; 22(18)2021 Sep 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-34576210
11.
Exploring Conformational Change of Adenylate Kinase by Replica Exchange Molecular Dynamic Simulation.
Biophys J
; 118(5): 1009-1018, 2020 03 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-31995738
12.
G-Protein-Coupled Receptor-Membrane Interactions Depend on the Receptor Activation State.
J Comput Chem
; 41(5): 460-471, 2020 02 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-31602675
13.
Accurate prediction of relative binding affinities of a series of HIV-1 protease inhibitors using semi-empirical quantum mechanical charge.
J Comput Chem
; 41(19): 1773-1780, 2020 07 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-32352193
14.
Peptide Gaussian accelerated molecular dynamics (Pep-GaMD): Enhanced sampling and free energy and kinetics calculations of peptide binding.
J Chem Phys
; 153(15): 154109, 2020 Oct 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-33092378
15.
Association of hepatocellular carcinoma risk with polymorphisms in tumour necrosis factor alpha gene in a Chinese Han population.
Int J Immunogenet
; 47(3): 286-293, 2020 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-31943768
16.
Weak-binding molecules are not drugs?-toward a systematic strategy for finding effective weak-binding drugs.
Brief Bioinform
; 18(2): 321-332, 2017 03 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-26962012
17.
D3Pockets: A Method and Web Server for Systematic Analysis of Protein Pocket Dynamics.
J Chem Inf Model
; 59(8): 3353-3358, 2019 08 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-31265282
18.
Halogen bonding in differently charged complexes: basic profile, essential interaction terms and intrinsic σ-hole.
Phys Chem Chem Phys
; 21(27): 15106-15119, 2019 Jul 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-31241121
19.
Structural basis for DNA recognition by STAT6.
Proc Natl Acad Sci U S A
; 113(46): 13015-13020, 2016 11 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-27803324
20.
Exploring molecular mechanism of allosteric inhibitor to relieve drug resistance of multiple mutations in HIV-1 protease by enhanced conformational sampling.
Proteins
; 86(12): 1294-1305, 2018 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-30260044