Detalhe da pesquisa
1.
Computational Approaches to Predict Protein-Protein Interactions in Crowded Cellular Environments.
Chem Rev;
124(7): 3932-3977, 2024 Apr 10.
Artigo
em Inglês
| MEDLINE
| ID: mdl-38535831
2.
Computational evidences of a misfolding event in an aggregation-prone light chain preceding the formation of the non-native pathogenic dimer.
Proteins;
92(7): 797-807, 2024 Jul.
Artigo
em Inglês
| MEDLINE
| ID: mdl-38314653
3.
Dynamical changes of SARS-CoV-2 spike variants in the highly immunogenic regions impact the viral antibodies escaping.
Proteins;
91(8): 1116-1129, 2023 08.
Artigo
em Inglês
| MEDLINE
| ID: mdl-37078559
4.
Thermometer: a webserver to predict protein thermal stability.
Bioinformatics;
38(7): 2060-2061, 2022 03 28.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35020787
5.
Binding site identification of G protein-coupled receptors through a 3D Zernike polynomials-based method: application to C. elegans olfactory receptors.
J Comput Aided Mol Des;
36(1): 11-24, 2022 01.
Artigo
em Inglês
| MEDLINE
| ID: mdl-34977999
6.
Lactoferrin Inhibition of the Complex Formation between ACE2 Receptor and SARS CoV-2 Recognition Binding Domain.
Int J Mol Sci;
23(10)2022 May 13.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35628247
7.
Exploiting Reaction-Diffusion Conditions to Trigger Pathway Complexity in the Growth of a MOF.
Angew Chem Int Ed Engl;
60(29): 15920-15927, 2021 Jul 12.
Artigo
em Inglês
| MEDLINE
| ID: mdl-33729645
8.
Insights on protein thermal stability: a graph representation of molecular interactions.
Bioinformatics;
35(15): 2569-2577, 2019 08 01.
Artigo
em Inglês
| MEDLINE
| ID: mdl-30535291
9.
Quantitative Characterization of Binding Pockets and Binding Complementarity by Means of Zernike Descriptors.
J Chem Inf Model;
60(3): 1390-1398, 2020 03 23.
Artigo
em Inglês
| MEDLINE
| ID: mdl-32050068
10.
Simulated Epidemics in 3D Protein Structures to Detect Functional Properties.
J Chem Inf Model;
60(3): 1884-1891, 2020 03 23.
Artigo
em Inglês
| MEDLINE
| ID: mdl-32011881
11.
Two Receptor Binding Strategy of SARS-CoV-2 Is Mediated by Both the N-Terminal and Receptor-Binding Spike Domain.
J Phys Chem B;
128(2): 451-464, 2024 Jan 18.
Artigo
em Inglês
| MEDLINE
| ID: mdl-38190651
12.
Computational structural-based GPCR optimization for user-defined ligand: Implications for the development of biosensors.
Comput Struct Biotechnol J;
21: 3002-3009, 2023.
Artigo
em Inglês
| MEDLINE
| ID: mdl-37249971
13.
Investigating the competition between ACE2 natural molecular interactors and SARS-CoV-2 candidate inhibitors.
Chem Biol Interact;
374: 110380, 2023 Apr 01.
Artigo
em Inglês
| MEDLINE
| ID: mdl-36822303
14.
Electrostatic complementarity at the interface drives transient protein-protein interactions.
Sci Rep;
13(1): 10207, 2023 06 23.
Artigo
em Inglês
| MEDLINE
| ID: mdl-37353566
15.
Differences in the organization of interface residues tunes the stability of the SARS-CoV-2 spike-ACE2 complex.
Front Mol Biosci;
10: 1205919, 2023.
Artigo
em Inglês
| MEDLINE
| ID: mdl-37441163
16.
Design of protein-binding peptides with controlled binding affinity: the case of SARS-CoV-2 receptor binding domain and angiotensin-converting enzyme 2 derived peptides.
Front Mol Biosci;
10: 1332359, 2023.
Artigo
em Inglês
| MEDLINE
| ID: mdl-38250735
17.
Molecular dynamics analysis of superoxide dismutase 1 mutations suggests decoupling between mechanisms underlying ALS onset and progression.
Comput Struct Biotechnol J;
21: 5296-5308, 2023.
Artigo
em Inglês
| MEDLINE
| ID: mdl-37954145
18.
Spatial organization of hydrophobic and charged residues affects protein thermal stability and binding affinity.
Sci Rep;
12(1): 12087, 2022 07 15.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35840609
19.
Shape Complementarity Optimization of Antibody-Antigen Interfaces: The Application to SARS-CoV-2 Spike Protein.
Front Mol Biosci;
9: 874296, 2022.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35669567
20.
A novel computational strategy for defining the minimal protein molecular surface representation.
PLoS One;
17(4): e0266004, 2022.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35421111