Detalhe da pesquisa
1.
Multi-eGO: An in silico lens to look into protein aggregation kinetics at atomic resolution.
Proc Natl Acad Sci U S A
; 119(26): e2203181119, 2022 06 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-35737839
2.
Spike mutation resilient scFv76 antibody counteracts SARS-CoV-2 lung damage upon aerosol delivery.
Mol Ther
; 31(2): 362-373, 2023 02 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-36114671
3.
Converging experimental and computational views of the knotting mechanism of a small knotted protein.
Biophys J
; 120(11): 2276-2286, 2021 06 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-33812848
4.
Mapping the transition state for a binding reaction between ancient intrinsically disordered proteins.
J Biol Chem
; 295(51): 17698-17712, 2020 12 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-33454008
5.
Metadynamics Simulations Rationalise the Conformational Effects Induced by N-Methylation of RGD Cyclic Hexapeptides.
Chemistry
; 21(40): 14165-70, 2015 Sep 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-26248541
6.
Iterative derivation of effective potentials to sample the conformational space of proteins at atomistic scale.
J Chem Phys
; 140(19): 195101, 2014 May 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-24852563
7.
Multi-eGO: Model Improvements toward the Study of Complex Self-Assembly Processes.
J Chem Theory Comput
; 20(1): 459-468, 2024 Jan 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-38153340
8.
Accurate and Efficient SAXS/SANS Implementation Including Solvation Layer Effects Suitable for Molecular Simulations.
J Chem Theory Comput
; 19(22): 8401-8413, 2023 Nov 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-37923304
9.
Disordered Regions Flanking the Binding Interface Modulate Affinity between CBP and NCOA.
J Mol Biol
; 434(13): 167643, 2022 07 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-35605677
10.
l- to d-Amino Acid Substitution in the Immunodominant LCMV-Derived Epitope gp33 Highlights the Sensitivity of the TCR Recognition Mechanism for the MHC/Peptide Structure and Dynamics.
ACS Omega
; 7(11): 9622-9635, 2022 Mar 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-35350306
11.
How to Determine Accurate Conformational Ensembles by Metadynamics Metainference: A Chignolin Study Case.
Front Mol Biosci
; 8: 694130, 2021.
Artigo
em Inglês
| MEDLINE | ID: mdl-34124166
12.
High Conformational Flexibility of the E2F1/DP1/DNA Complex.
J Mol Biol
; 433(18): 167119, 2021 09 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-34181981
13.
Determination of Protein Structural Ensembles by Hybrid-Resolution SAXS Restrained Molecular Dynamics.
J Chem Theory Comput
; 16(4): 2825-2834, 2020 Apr 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-32119546
14.
The dynamics of linear polyubiquitin.
Sci Adv
; 6(42)2020 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-33055165
15.
Cryo-EM structure of cardiac amyloid fibrils from an immunoglobulin light chain AL amyloidosis patient.
Nat Commun
; 10(1): 1269, 2019 03 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-30894521
16.
Succinimide-Based Conjugates Improve IsoDGR Cyclopeptide Affinity to αvß3 without Promoting Integrin Allosteric Activation.
J Med Chem
; 61(17): 7474-7485, 2018 09 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-29883545
17.
Editorial: Intrinsically Disordered Proteins and Regions: The Challenge to the Structure-Function Relationship.
Front Mol Biosci
; 9: 962643, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-35874612