Detalhe da pesquisa
1.
Successes and challenges in multiscale modelling of artificial metalloenzymes: the case study of POP-Rh2 cyclopropanase.
Faraday Discuss
; 234(0): 349-366, 2022 05 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-35147145
2.
Influence of Association on Binding of Disaccharides to YKL-39 and hHyal-1 Enzymes.
Int J Mol Sci
; 23(14)2022 Jul 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-35887053
3.
BioMetAll: Identifying Metal-Binding Sites in Proteins from Backbone Preorganization.
J Chem Inf Model
; 61(1): 311-323, 2021 01 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-33337144
4.
Hybrid Cyclobutane/Proline-Containing Peptidomimetics: The Conformational Constraint Influences Their Cell-Penetration Ability.
Int J Mol Sci
; 22(10)2021 May 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-34065025
5.
GARLEEK: Adding an extra flavor to ONIOM.
J Comput Chem
; 40(2): 381-386, 2019 01 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-30462350
6.
GPathFinder: Identification of Ligand-Binding Pathways by a Multi-Objective Genetic Algorithm.
Int J Mol Sci
; 20(13)2019 Jun 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-31261636
7.
Investigating Potential Inhibitory Effect of Uncaria tomentosa (Cat's Claw) against the Main Protease 3CLpro of SARS-CoV-2 by Molecular Modeling.
Evid Based Complement Alternat Med
; 2020: 4932572, 2020.
Artigo
em Inglês
| MEDLINE | ID: mdl-33029165
8.
Computational insight into the interaction of oxaliplatin with insulin.
Metallomics
; 11(4): 765-773, 2019 04 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-30724953
9.
Synthesis of polyfluoroalkyl sp2-iminosugar glycolipids and evaluation of their immunomodulatory properties towards anti-tumor, anti-leishmanial and anti-inflammatory therapies.
Eur J Med Chem
; 182: 111604, 2019 Nov 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-31425910
10.
Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
Nat Commun
; 10(1): 2222, 2019 05 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-31110237