Detalhe da pesquisa
1.
Discovery of novel Akt1 inhibitors by an ensemble-based virtual screening method, molecular dynamics simulation, and in vitro biological activity testing.
Mol Divers
; 2024 Jan 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-38240951
2.
Discovery of novel microtubule stabilizers targeting taxane binding site by applying molecular docking, molecular dynamics simulation, and anticancer activity testing.
Bioorg Chem
; 122: 105722, 2022 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-35303622
3.
Identification of Novel Inhibitors Targeting SGK1 via Ensemble-Based Virtual Screening Method, Biological Evaluation and Molecular Dynamics Simulation.
Int J Mol Sci
; 23(15)2022 Aug 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-35955763
4.
In silico prediction of drug-induced developmental toxicity by using machine learning approaches.
Mol Divers
; 24(4): 1281-1290, 2020 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-31486961
5.
Discovery of potent microtubule-destabilizing agents targeting for colchicine site by virtual screening, biological evaluation, and molecular dynamics simulation.
Eur J Pharm Sci
; 180: 106340, 2023 Jan 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-36435355
6.
Discovery of novel S6K1 inhibitors by an ensemble-based virtual screening method and molecular dynamics simulation.
J Mol Model
; 29(4): 102, 2023 Mar 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-36933164
7.
Development of binary classification models for assessment of drug-induced liver injury in humans using a large set of FDA-approved drugs.
J Pharmacol Toxicol Methods
; 116: 107185, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-35623583
8.
Discovery of microtubule stabilizers with novel scaffold structures based on virtual screening, biological evaluation, and molecular dynamics simulation.
Chem Biol Interact
; 352: 109784, 2022 Jan 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-34932952
9.
Developing novel computational prediction models for assessing chemical-induced neurotoxicity using naïve Bayes classifier technique.
Food Chem Toxicol
; 143: 111513, 2020 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-32621845