Detalhe da pesquisa
1.
StackHCV: a web-based integrative machine-learning framework for large-scale identification of hepatitis C virus NS5B inhibitors.
J Comput Aided Mol Des
; 35(10): 1037-1053, 2021 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-34622387
2.
Insights into the EGFR SAR of N-phenylquinazolin-4-amine-derivatives using quantum mechanical pairwise-interaction energies.
J Comput Aided Mol Des
; 33(8): 745-757, 2019 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-31494804
3.
Exploring the catalytic mechanism of dihydropteroate synthase: elucidating the differences between the substrate and inhibitor.
Org Biomol Chem
; 15(26): 5593-5601, 2017 Jul 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-28639657
4.
3D-QSAR and molecular docking studies of peptide-hybrids as dengue virus NS2B/NS3 protease inhibitors.
Chem Biol Interact
; 396: 111040, 2024 Jun 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-38735453
5.
What make malarial adenosine deaminase from PLASMODIUM VIVAX recognise adenosine and 5'-methylthioadenosine: simulation studies.
J Biomol Struct Dyn
; 41(4): 1437-1444, 2023 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-34994283
6.
Structure-Activity Relationship Study of Xanthoxyline and Related Small Methyl Ketone Herbicides.
ACS Omega
; 7(33): 29002-29012, 2022 Aug 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-36033657
7.
A novel sequence-based predictor for identifying and characterizing thermophilic proteins using estimated propensity scores of dipeptides.
Sci Rep
; 11(1): 23782, 2021 12 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-34893688
8.
QM/MM investigation of the reaction rates of substrates of 2,3-dimethylmalate lyase: A catabolic protein isolated from Aspergillus niger.
J Mol Graph Model
; 68: 29-38, 2016 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-27343740
9.
Probing the Catalytic Mechanism Involved in the Isocitrate Lyase Superfamily: Hybrid Quantum Mechanical/Molecular Mechanical Calculations on 2,3-Dimethylmalate Lyase.
J Phys Chem B
; 119(35): 11473-84, 2015 Sep 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-26224328