Detalhe da pesquisa
1.
Methotrexate recognition by the human reduced folate carrier SLC19A1.
Nature
; 609(7929): 1056-1062, 2022 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-36071163
2.
Antiviral drug recognition and elevator-type transport motions of CNT3.
Nat Chem Biol
; 2024 Feb 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-38418906
3.
Conformational rearrangements in the sensory RcsF/OMP complex mediate signal transduction across the bacterial cell envelope.
PLoS Genet
; 19(1): e1010601, 2023 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-36706155
4.
Structural and thermodynamic framework for PIEZO1 modulation by small molecules.
Proc Natl Acad Sci U S A
; 120(50): e2310933120, 2023 Dec 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-38060566
5.
Supramolecular organization and dynamics of mannosylated phosphatidylinositol lipids in the mycobacterial plasma membrane.
Proc Natl Acad Sci U S A
; 120(5): e2212755120, 2023 01 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-36693100
6.
Analogs of α-conotoxin PnIC selectively inhibit α7ß2- over α7-only subtype nicotinic acetylcholine receptors via a novel allosteric mechanism.
FASEB J
; 38(1): e23374, 2024 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-38161283
7.
T cell and B cell antigen receptors share a conserved core transmembrane structure.
Proc Natl Acad Sci U S A
; 119(48): e2208058119, 2022 11 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-36409917
8.
Solid-state NMR MAS CryoProbe enables structural studies of human blood protein vitronectin bound to hydroxyapatite.
J Struct Biol
; 216(1): 108061, 2024 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-38185342
9.
Spontaneous curvature generation by peptides in asymmetric bilayers.
J Comput Chem
; 45(9): 512-522, 2024 Apr 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-37991280
10.
Evolutionary balance between foldability and functionality of a glucose transporter.
Nat Chem Biol
; 18(7): 713-723, 2022 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-35484435
11.
Binding of human ACE2 and RBD of Omicron enhanced by unique interaction patterns among SARS-CoV-2 variants of concern.
J Comput Chem
; 44(4): 594-601, 2023 02 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-36398990
12.
CHARMM-GUI-Based Induced Fit Docking Workflow to Generate Reliable Protein-Ligand Binding Modes.
J Chem Inf Model
; 63(15): 4772-4779, 2023 08 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-37462607
13.
Modeling and Simulation of Bacterial Outer Membranes with Lipopolysaccharides and Capsular Polysaccharides.
J Chem Inf Model
; 63(5): 1592-1601, 2023 03 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-36802606
14.
Structural Modeling of Cytokine-Receptor-JAK2 Signaling Complexes Using AlphaFold Multimer.
J Chem Inf Model
; 63(18): 5874-5895, 2023 09 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-37694948
15.
Calcium and hydroxyapatite binding site of human vitronectin provides insights to abnormal deposit formation.
Proc Natl Acad Sci U S A
; 117(31): 18504-18510, 2020 08 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-32699145
16.
Calcium-induced environmental adaptability of the blood protein vitronectin.
Biophys J
; 121(20): 3896-3906, 2022 10 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-36056555
17.
CHARMM-GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field.
J Comput Chem
; 43(5): 359-375, 2022 02 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-34874077
18.
Foldable Detergents for Membrane Protein Study: Importance of Detergent Core Flexibility in Protein Stabilization.
Chemistry
; 28(21): e202200116, 2022 Apr 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-35238091
19.
Molecular Condensate in a Membrane: A Tugging Game between Hydrophobicity and Polarity with Its Biological Significance.
Langmuir
; 38(19): 5955-5962, 2022 05 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-35503859
20.
Practical Guidance for Consensus Scoring and Force Field Selection in Protein-Ligand Binding Free Energy Simulations.
J Chem Inf Model
; 62(23): 6084-6093, 2022 Dec 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-36399655