Detalhe da pesquisa
1.
Artificial Immune Cell, AI-cell, a New Tool to Predict Interferon Production by Peripheral Blood Monocytes in Response to Nucleic Acid Nanoparticles.
Small
; 18(46): e2204941, 2022 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-36216772
2.
Development of Robust Quantitative Structure-Activity Relationship Models for CYP2C9, CYP2D6, and CYP3A4 Catalysis and Inhibition.
Drug Metab Dispos
; 49(9): 822-832, 2021 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-34183376
3.
Combining In Vivo Data with In Silico Predictions for Modeling Hepatic Steatosis by Using Stratified Bagging and Conformal Prediction.
Chem Res Toxicol
; 34(2): 656-668, 2021 02 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-33347274
4.
Large-Scale Modeling of Multispecies Acute Toxicity End Points Using Consensus of Multitask Deep Learning Methods.
J Chem Inf Model
; 61(2): 653-663, 2021 02 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-33533614
5.
Propafenone analogue with additional H-bond acceptor group shows increased inhibitory activity on P-glycoprotein.
Arch Pharm (Weinheim)
; 353(3): e1900269, 2020 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-31917466
6.
Integrative Data Mining, Scaffold Analysis, and Sequential Binary Classification Models for Exploring Ligand Profiles of Hepatic Organic Anion Transporting Polypeptides.
J Chem Inf Model
; 59(5): 1811-1825, 2019 05 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30372058
7.
Comparing the performance of meta-classifiers-a case study on selected imbalanced data sets relevant for prediction of liver toxicity.
J Comput Aided Mol Des
; 32(5): 583-590, 2018 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-29626291
8.
Structure based classification for bile salt export pump (BSEP) inhibitors using comparative structural modeling of human BSEP.
J Comput Aided Mol Des
; 31(6): 507-521, 2017 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-28527154
9.
Venglustat Inhibits Protein N-Terminal Methyltransferase 1 in a Substrate-Competitive Manner.
J Med Chem
; 65(18): 12334-12345, 2022 09 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-36074125
10.
Application of temperature-responsive HIS-tag fluorophores to differential scanning fluorimetry screening of small molecule libraries.
Front Pharmacol
; 13: 1040039, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-36506591
11.
Allosteric Binders of ACE2 Are Promising Anti-SARS-CoV-2 Agents.
ACS Pharmacol Transl Sci
; 5(7): 468-478, 2022 Jul 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-35821746
12.
Allosteric binders of ACE2 are promising anti-SARS-CoV-2 agents.
bioRxiv
; 2022 Mar 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-35313579
13.
Integrate mechanistic evidence from new approach methodologies (NAMs) into a read-across assessment to characterise trends in shared mode of action.
Toxicol In Vitro
; 79: 105269, 2022 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-34757180
14.
GenoVault: a cloud based genomics repository.
BioData Min
; 14(1): 36, 2021 Jul 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-34325724
15.
Outbreak Prediction of COVID-19 for Dense and Populated Countries Using Machine Learning.
Ann Data Sci
; 8(1): 1-19, 2021.
Artigo
em Inglês
| MEDLINE | ID: mdl-38624463
16.
Discovery of TMPRSS2 inhibitors from virtual screening.
bioRxiv
; 2021 Mar 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-33398276
17.
Discovery of TMPRSS2 Inhibitors from Virtual Screening as a Potential Treatment of COVID-19.
ACS Pharmacol Transl Sci
; 4(3): 1124-1135, 2021 Jun 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-34136758
18.
Hybrid In Silico Approach Reveals Novel Inhibitors of Multiple SARS-CoV-2 Variants.
ACS Pharmacol Transl Sci
; 4(5): 1675-1688, 2021 Oct 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-34608449
19.
In Silico Approaches to Predict Drug-Transporter Interaction Profiles: Data Mining, Model Generation, and Link to Cholestasis.
Methods Mol Biol
; 1981: 383-396, 2019.
Artigo
em Inglês
| MEDLINE | ID: mdl-31016669
20.
Interspecies comparison of putative ligand binding sites of human, rat and mouse P-glycoprotein.
Eur J Pharm Sci
; 122: 134-143, 2018 Sep 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-29936088