Detalhe da pesquisa
1.
Do we need different machine learning algorithms for QSAR modeling? A comprehensive assessment of 16 machine learning algorithms on 14 QSAR data sets.
Brief Bioinform
; 22(4)2021 07 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-33313673
2.
Structural Basis of PER-1-Mediated Cefiderocol Resistance and Synergistic Inhibition of PER-1 by Cefiderocol in Combination with Avibactam or Durlobactam in Acinetobacter baumannii.
Antimicrob Agents Chemother
; 66(12): e0082822, 2022 12 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-36377939
3.
Comprehensive assessment of nine docking programs on type II kinase inhibitors: prediction accuracy of sampling power, scoring power and screening power.
Brief Bioinform
; 21(1): 282-297, 2020 Jan 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-30379986
4.
Assessing the performance of MM/PBSA and MM/GBSA methods. 8. Predicting binding free energies and poses of protein-RNA complexes.
RNA
; 24(9): 1183-1194, 2018 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-29930024
5.
farPPI: a webserver for accurate prediction of protein-ligand binding structures for small-molecule PPI inhibitors by MM/PB(GB)SA methods.
Bioinformatics
; 35(10): 1777-1779, 2019 05 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-30329012
6.
ADMET Evaluation in Drug Discovery. 19. Reliable Prediction of Human Cytochrome P450 Inhibition Using Artificial Intelligence Approaches.
J Chem Inf Model
; 59(11): 4587-4601, 2019 11 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-31644282
7.
Importance of protein flexibility on molecular recognition: modeling binding mechanisms of aminopyrazine inhibitors to Nek2.
Phys Chem Chem Phys
; 20(8): 5591-5605, 2018 Feb 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-29270587
8.
ADMET Evaluation in Drug Discovery. Part 17: Development of Quantitative and Qualitative Prediction Models for Chemical-Induced Respiratory Toxicity.
Mol Pharm
; 14(7): 2407-2421, 2017 07 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-28595388
9.
ADMET Evaluation in Drug Discovery. 18. Reliable Prediction of Chemical-Induced Urinary Tract Toxicity by Boosting Machine Learning Approaches.
Mol Pharm
; 14(11): 3935-3953, 2017 11 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-29037046
10.
Remimazolam attenuates myocardial ischemia-reperfusion injury by inhibiting the NF-ĸB pathway of macrophage inflammation.
Eur J Pharmacol
; 965: 176276, 2024 Feb 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-38113966
11.
Role of tcaA, a potential target as a ceftobiprole resistance breaker in MRSA ß-lactam resistance.
Int J Antimicrob Agents
; 64(1): 107185, 2024 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-38692492
12.
Genomic epidemiology and ceftazidime-avibactam high-level resistance mechanisms of Pseudomonas aeruginosa in China from 2010 to 2022.
Emerg Microbes Infect
; 13(1): 2324068, 2024 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-38406830
13.
A novel KPC-113 variant conferring carbapenem and ceftazidime-avibactam resistance in a multidrug-resistant Pseudomonas aeruginosa isolate.
Clin Microbiol Infect
; 29(3): 387.e7-387.e14, 2023 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-36252790
14.
A Novel CMY Variant Confers Transferable High-Level Resistance to Ceftazidime-Avibactam in Multidrug-Resistant Escherichia coli.
Microbiol Spectr
; : e0334922, 2023 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-36786629
15.
Characterization of two novel VIM-type metallo-ß-lactamases, VIM-84 and VIM-85, associated with the spread of IncP-2 megaplasmids in Pseudomonas aeruginosa.
Microbiol Spectr
; : e0154423, 2023 Sep 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-37707305
16.
ADMET evaluation in drug discovery. 20. Prediction of breast cancer resistance protein inhibition through machine learning.
J Cheminform
; 12(1): 16, 2020 Mar 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-33430990
17.
Importance of Incorporating Protein Flexibility in Molecule Modeling: A Theoretical Study on Type I1/2 NIK Inhibitors.
Front Pharmacol
; 10: 345, 2019.
Artigo
em Inglês
| MEDLINE | ID: mdl-31024312
18.
Reliability of Docking-Based Virtual Screening for GPCR Ligands with Homology Modeled Structures: A Case Study of the Angiotensin II Type I Receptor.
ACS Chem Neurosci
; 10(1): 677-689, 2019 01 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-30265513
19.
ADMET evaluation in drug discovery: 15. Accurate prediction of rat oral acute toxicity using relevance vector machine and consensus modeling.
J Cheminform
; 8: 6, 2016.
Artigo
em Inglês
| MEDLINE | ID: mdl-26839598