Detalhe da pesquisa
1.
MARS: A Multipurpose Software for Untargeted LC-MS-Based Metabolomics and Exposomics.
Anal Chem
; 96(4): 1468-1477, 2024 01 30.
Artigo
Inglês
| MEDLINE | ID: mdl-38236168
2.
Use of ionic liquids in amidation reactions for proteolysis targeting chimera synthesis.
Org Biomol Chem
; 22(17): 3477-3489, 2024 05 01.
Artigo
Inglês
| MEDLINE | ID: mdl-38602033
3.
DeepGRID: Deep Learning Using GRID Descriptors for BBB Prediction.
J Chem Inf Model
; 63(17): 5496-5512, 2023 09 11.
Artigo
Inglês
| MEDLINE | ID: mdl-37639536
4.
Endoplasmic reticulum stress and NF-kB activation in SARS-CoV-2 infected cells and their response to antiviral therapy.
IUBMB Life
; 74(1): 93-100, 2022 01.
Artigo
Inglês
| MEDLINE | ID: mdl-34390301
5.
Resistance to PI3Kδ inhibitors in marginal zone lymphoma can be reverted by targeting the IL-6/PDGFRA axis.
Haematologica
; 107(11): 2685-2697, 2022 11 01.
Artigo
Inglês
| MEDLINE | ID: mdl-35484662
6.
Melatonin modulates Nrf2 activity to protect porcine pre-pubertal Sertoli cells from the abnormal H2 O2 generation and reductive stress effects of cadmium.
J Pineal Res
; 73(1): e12806, 2022 Aug.
Artigo
Inglês
| MEDLINE | ID: mdl-35524288
7.
FragExplorer: GRID-Based Fragment Growing and Replacement.
J Chem Inf Model
; 62(5): 1224-1235, 2022 03 14.
Artigo
Inglês
| MEDLINE | ID: mdl-35119269
8.
An Integrated Machine Learning Model To Spot Peptide Binding Pockets in 3D Protein Screening.
J Chem Inf Model
; 62(24): 6812-6824, 2022 12 26.
Artigo
Inglês
| MEDLINE | ID: mdl-36320100
9.
Getting Insights into Structural and Energetic Properties of Reciprocal Peptide-Protein Interactions.
J Chem Inf Model
; 62(4): 1113-1125, 2022 02 28.
Artigo
Inglês
| MEDLINE | ID: mdl-35148095
10.
CROMATIC: Cross-Relationship Map of Cavities from Coronaviruses.
J Chem Inf Model
; 62(12): 2901-2908, 2022 06 27.
Artigo
Inglês
| MEDLINE | ID: mdl-35695374
11.
Discovery of a new class of triazole based inhibitors of acetyl transferase KAT2A.
J Enzyme Inhib Med Chem
; 37(1): 1987-1994, 2022 Dec.
Artigo
Inglês
| MEDLINE | ID: mdl-35880250
12.
Exploring Ligand Binding Domain Dynamics in the NRs Superfamily.
Int J Mol Sci
; 23(15)2022 Aug 05.
Artigo
Inglês
| MEDLINE | ID: mdl-35955864
13.
Combining machine learning and quantum mechanics yields more chemically aware molecular descriptors for medicinal chemistry applications.
J Comput Chem
; 42(29): 2068-2078, 2021 11 05.
Artigo
Inglês
| MEDLINE | ID: mdl-34410004
14.
Binding of Androgen- and Estrogen-Like Flavonoids to Their Cognate (Non)Nuclear Receptors: A Comparison by Computational Prediction.
Molecules
; 26(6)2021 Mar 14.
Artigo
Inglês
| MEDLINE | ID: mdl-33799482
15.
Use of Phenotypically Poor Metabolizer Individual Donor Human Liver Microsomes To Identify Selective Substrates of UGT2B10.
Drug Metab Dispos
; 48(3): 176-186, 2020 03.
Artigo
Inglês
| MEDLINE | ID: mdl-31839590
16.
A Novel Lipidomics-Based Approach to Evaluating the Risk of Clinical Hepatotoxicity Potential of Drugs in 3D Human Microtissues.
Chem Res Toxicol
; 33(1): 258-270, 2020 01 21.
Artigo
Inglês
| MEDLINE | ID: mdl-31820940
17.
Structure-metabolism relationships in human-AOX: Chemical insights from a large database of aza-aromatic and amide compounds.
Proc Natl Acad Sci U S A
; 114(16): E3178-E3187, 2017 04 18.
Artigo
Inglês
| MEDLINE | ID: mdl-28373537
18.
How computational chemistry develops: a tribute to Peter Goodford.
J Comput Aided Mol Des
; 33(8): 699-703, 2019 08.
Artigo
Inglês
| MEDLINE | ID: mdl-31435893
19.
Interaction of Mycotoxin Alternariol with Serum Albumin.
Int J Mol Sci
; 20(9)2019 May 12.
Artigo
Inglês
| MEDLINE | ID: mdl-31083629
20.
Delving into the Polar Lipidome by Optimized Chromatographic Separation, High-Resolution Mass Spectrometry, and Comprehensive Identification with Lipostar: Microalgae as Case Study.
Anal Chem
; 90(20): 12230-12238, 2018 10 16.
Artigo
Inglês
| MEDLINE | ID: mdl-30204416