Detalhe da pesquisa
1.
Computational Study of Amyloidß42 Familial Mutations and Metal Interaction: Impact on Monomers and Aggregates Dynamical Behaviors.
Inorg Chem
; 63(10): 4725-4737, 2024 Mar 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-38408469
2.
Conformationally Restricted ß-Sheet Breaker Peptides Incorporating Cyclic α-Methylisoserine Sulfamidates.
Chemistry
; 29(9): e202202913, 2023 Feb 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-36377879
3.
On the stability of peptide secondary structures on the TiO2 (101) anatase surface: a computational insight.
Phys Chem Chem Phys
; 25(1): 392-401, 2022 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-36477070
4.
First-Principles Modeling of Protein/Surface Interactions. Polyglycine Secondary Structure Adsorption on the TiO2 (101) Anatase Surface Adopting a Full Periodic Approach.
J Chem Inf Model
; 61(11): 5484-5498, 2021 11 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-34752107
5.
Impact of Cu(II) and Al(III) on the conformational landscape of amyloidß1-42.
Phys Chem Chem Phys
; 23(23): 13023-13032, 2021 Jun 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-34095932
6.
Atomistic insights into the structure of heptapeptide nanofibers.
J Chem Phys
; 155(5): 055101, 2021 Aug 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-34364337
7.
Small molecule inhibits α-synuclein aggregation, disrupts amyloid fibrils, and prevents degeneration of dopaminergic neurons.
Proc Natl Acad Sci U S A
; 115(41): 10481-10486, 2018 10 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-30249646
8.
Enhanced Metallophilicity in Metal-Carbene Systems: Stronger Character of Aurophilic Interactions in Solution.
Chemistry
; 26(5): 997-1002, 2020 Jan 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-31729079
9.
Activating a Peroxo Ligand for C-O Bond Formation.
Angew Chem Int Ed Engl
; 58(10): 3037-3041, 2019 Mar 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-30589172
10.
When the Surface Matters: Prebiotic Peptide-Bond Formation on the TiO2 (101) Anatase Surface through Periodic DFT-D2 Simulations.
Chemistry
; 24(61): 16292-16301, 2018 Nov 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-30212609
11.
Drastic Effect of the Peptide Sequence on the Copper-Binding Properties of Tripeptides and the Electrochemical Behaviour of Their Copper(II) Complexes.
Chemistry
; 24(20): 5153-5162, 2018 Apr 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-29194825
12.
Fluorous l-Carbidopa Precursors: Highly Enantioselective Synthesis and Computational Prediction of Bioactivity.
J Org Chem
; 83(1): 303-313, 2018 01 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-29200295
13.
Intramolecular Photocycloaddition of 2(5 H)-Furanones to Temporarily Tethered Terminal Alkenes as a Stereoselective Source of Enantiomerically Pure Polyfunctionalyzed Cyclobutanes.
J Org Chem
; 83(6): 3188-3199, 2018 03 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-29461058
14.
Visible-Light Photocatalytic Intramolecular Cyclopropane Ring Expansion.
Angew Chem Int Ed Engl
; 56(27): 7826-7830, 2017 06 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-28489267
15.
Multiple Condensation Reactions Involving Pt(II) /Pd(II) -OH2 , Pt-NH3 , and Cytosine-NH2 Groups: New Twists in Cisplatin-Nucleobase Chemistry.
Chemistry
; 22(38): 13653-68, 2016 Sep 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-27516223
16.
Computational study on donor-acceptor optical markers for Alzheimer's disease: a game of charge transfer and electron delocalization.
Phys Chem Chem Phys
; 18(17): 11634-43, 2016 04 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-26817795
17.
Coordination properties of a metal chelator clioquinol to Zn(2+) studied by static DFT and ab initio molecular dynamics.
Phys Chem Chem Phys
; 17(20): 13582-9, 2015 May 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-25939963
18.
Disaggregation-induced fluorescence enhancement of NIAD-4 for the optical imaging of amyloid-ß fibrils.
Phys Chem Chem Phys
; 17(30): 19718-25, 2015 Aug 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-26123993
19.
Dioxygen activation in the Cu-amyloid ß complex.
Phys Chem Chem Phys
; 17(41): 27270-4, 2015 Nov 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-26427541
20.
Mixed adenine/guanine quartets with three trans-a2 Pt(II) (a=NH(3) or MeNH(2)) cross-links: linkage and rotational isomerism, base pairing, and loss of NH(3).
Chemistry
; 20(12): 3394-407, 2014 Mar 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-24532472