Detalhe da pesquisa
1.
De novo design of dual-target JAK2, SMO inhibitors based on deep reinforcement learning, molecular docking and molecular dynamics simulations.
Biochem Biophys Res Commun
; 638: 23-27, 2023 01 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-36436338
2.
Virtual screening and molecular dynamics simulation for identification of natural antiviral agents targeting SARS-CoV-2 NSP10.
Biochem Biophys Res Commun
; 626: 114-120, 2022 10 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-35988295
3.
Identification of inhibitors targeting HIF-2α/c-Myc by molecular docking and MM-GBSA technology.
J Recept Signal Transduct Res
; 41(5): 511-519, 2021 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-32981413
4.
QSAR and molecular docking studies on oxindole derivatives as VEGFR-2 tyrosine kinase inhibitors.
J Recept Signal Transduct Res
; 36(1): 103-9, 2016.
Artigo
em Inglês
| MEDLINE | ID: mdl-26416217
5.
Discovery and design of dual inhibitors targeting Sphk1 and Sirt1.
J Mol Model
; 29(5): 141, 2023 Apr 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-37059848
6.
Design of SARS-CoV-2 Mpro, PLpro dual-target inhibitors based on deep reinforcement learning and virtual screening.
Future Med Chem
; 14(6): 393-405, 2022 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-35220726
7.
Design and screening of FAK, CDK 4/6 dual inhibitors by pharmacophore model, molecular docking, and molecular dynamics simulation.
J Biomol Struct Dyn
; 39(15): 5358-5367, 2021 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-32627678
8.
Refinement and 3D-QSAR Studies of Inhibitors of Cyclophilin A Containing Amide Linker.
QSAR Comb Sci
; 28(2): 183-193, 2009 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-32327951
9.
De novo design of VEGFR-2 tyrosine kinase inhibitors based on a linked-fragment approach.
J Mol Model
; 22(9): 222, 2016 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-27558799
10.
The unbinding studies of vascular endothelial growth factor receptor-2 protein tyrosine kinase type II inhibitors.
J Mol Graph Model
; 59: 130-5, 2015 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-25989626
11.
A novel approach to cloning and expression of human thymidylate synthase.
Asian Pac J Cancer Prev
; 14(12): 7523-7, 2013.
Artigo
em Inglês
| MEDLINE | ID: mdl-24460328
12.
Primary antioxidant free radical scavenging and redox signaling pathways in higher plant cells.
Int J Biol Sci
; 4(1): 8-14, 2007 Dec 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-18167531
13.
N-methylformamide-benzene complex as a prototypical peptide N-H...pi hydrogen-bonded system: density functional theory and MP2 studies.
J Org Chem
; 68(19): 7490-5, 2003 Sep 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-12968905