Detalhe da pesquisa
1.
SORC: an integrated spatial omics resource in cancer.
Nucleic Acids Res
; 52(D1): D1429-D1437, 2024 Jan 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-37811897
2.
Species differences in plasma protein binding of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) main protease inhibitor nirmatrelvir.
Xenobiotica
; 53(1): 12-24, 2023 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-36803165
3.
TorsionNet: A Deep Neural Network to Rapidly Predict Small-Molecule Torsional Energy Profiles with the Accuracy of Quantum Mechanics.
J Chem Inf Model
; 62(4): 785-800, 2022 02 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-35119861
4.
Ligand biological activity predicted by cleaning positive and negative chemical correlations.
Proc Natl Acad Sci U S A
; 116(9): 3373-3378, 2019 02 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-30808733
5.
Optimal designs for pairwise calculation: An application to free energy perturbation in minimizing prediction variability.
J Comput Chem
; 41(3): 247-257, 2020 01 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-31721260
6.
Comprehensive Assessment of Torsional Strain in Crystal Structures of Small Molecules and Protein-Ligand Complexes using ab Initio Calculations.
J Chem Inf Model
; 59(10): 4195-4208, 2019 10 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-31573196
7.
Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg Med Chem Lett
; 26(4): 1314-8, 2016 Feb 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-26786695
8.
Advancing dentin remineralization: Exploring amorphous calcium phosphate and its stabilizers in biomimetic approaches.
Dent Mater
; 2024 Jun 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-38871525
9.
Predictive Minisci late stage functionalization with transfer learning.
Nat Commun
; 15(1): 426, 2024 Jan 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-38225239
10.
Probing the chemical 'reactome' with high-throughput experimentation data.
Nat Chem
; 16(4): 633-643, 2024 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-38168924
11.
Development and Comprehensive Benchmark of a High-Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation.
J Chem Theory Comput
; 20(2): 799-818, 2024 Jan 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-38157475
12.
A Second-Generation Oral SARS-CoV-2 Main Protease Inhibitor Clinical Candidate for the Treatment of COVID-19.
J Med Chem
; 2024 Apr 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-38687966
13.
Report of intersex individuals from a southeastern Chinese Choroterpes facialis (Gillies, 1951) population (Ephemeroptera: Leptophlebiidae).
Zootaxa
; 5258(4): 495-500, 2023 Mar 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-37044580
14.
A new Neoleptophlebia Kluge, 1997 species from eastern China (Ephemeroptera: Leptophlebiidae).
Zootaxa
; 5343(4): 375-385, 2023 Sep 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-38221369
15.
Discovery of the Potent and Selective MC4R Antagonist PF-07258669 for the Potential Treatment of Appetite Loss.
J Med Chem
; 66(5): 3195-3211, 2023 03 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-36802610
16.
Structural basis of the acyl-transfer mechanism of human GPAT1.
Nat Struct Mol Biol
; 30(1): 22-30, 2023 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-36522428
17.
Characterization of Field-Evolved Resistance to Afidopyropen, a Novel Insecticidal Toxin Developed from Microbial Secondary Metabolites, in Bemisia tabaci.
Toxins (Basel)
; 14(7)2022 07 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-35878191
18.
Genetic Surveillance of SARS-CoV-2 Mpro Reveals High Sequence and Structural Conservation Prior to the Introduction of Protease Inhibitor Paxlovid.
mBio
; 13(4): e0086922, 2022 08 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-35862764
19.
Surface charge modulation enhanced high stability of gold oxidation intermediates for electrochemical glucose sensors.
Anal Methods
; 14(44): 4474-4484, 2022 11 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-36317565
20.
Acylsugar protection of Nicotiana benthamiana confers mortality and transgenerational fitness costs in Spodoptera litura.
Front Plant Sci
; 13: 993279, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-36119595