Detalhe da pesquisa
1.
ß-Peptides incorporating polyhydroxylated cyclohexane ß-amino acid: synthesis and conformational study.
Org Biomol Chem
; 21(42): 8535-8547, 2023 11 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-37840474
2.
Molecular Dynamics Simulations of Transmembrane Cyclic Peptide Nanotubes Using Classical Force Fields, Hydrogen Mass Repartitioning, and Hydrogen Isotope Exchange Methods: A Critical Comparison.
Int J Mol Sci
; 23(6)2022 Mar 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-35328578
3.
Inverse Conformational Selection in Lipid-Protein Binding.
J Am Chem Soc
; 143(34): 13701-13709, 2021 09 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-34465095
4.
Aggregation versus inclusion complexes to solubilize drugs with cyclodextrins. A case study using sulphobutylether-ß-cyclodextrins and remdesivir.
J Mol Liq
; 343: 117588, 2021 Dec 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-34548723
5.
Parallel Versus Antiparallel ß-Sheet Structure in Cyclic Peptide Hybrids Containing γ- or δ-Cyclic Amino Acids.
Chemistry
; 26(26): 5846-5858, 2020 May 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-31999874
6.
Competitive double-switched self-assembled cyclic peptide nanotubes: a dual internal and external control.
Phys Chem Chem Phys
; 21(37): 20750-20756, 2019 Oct 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-31513191
7.
Rhodium-Catalyzed Annulation of ortho-Alkenyl Anilides with Alkynes: Formation of Unexpected Naphthalene Adducts.
Angew Chem Int Ed Engl
; 58(6): 1700-1704, 2019 Feb 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-30507055
8.
Tight Xenon Confinement in a Crystalline Sandwich-like Hydrogen-Bonded Dimeric Capsule of a Cyclic Peptide.
Angew Chem Int Ed Engl
; 58(41): 14472-14476, 2019 10 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-31418497
9.
A Single Mutation is Sufficient to Modify the Metal Selectivity and Specificity of a Eukaryotic Manganese Superoxide Dismutase to Encompass Iron.
Chemistry
; 24(20): 5303-5308, 2018 Apr 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-29178484
10.
Cyclo-lib: a database of computational molecular dynamics simulations of cyclodextrins.
Bioinformatics
; 32(21): 3371-3373, 2016 11 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-27354697
11.
Molecular dynamics simulations for designing biomimetic pores based on internally functionalized self-assembling α,γ-peptide nanotubes.
Phys Chem Chem Phys
; 17(43): 28586-601, 2015 Nov 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-26443433
12.
Designing biomimetic pores based on carbon nanotubes.
Proc Natl Acad Sci U S A
; 109(18): 6939-44, 2012 May 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-22509000
13.
Self-Sorting of cyclic peptide homodimers into a heterodimeric assembly featuring an efficient photoinduced intramolecular electron-transfer process.
Chemistry
; 20(12): 3427-38, 2014 Mar 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-24677609
14.
Unraveling the molecular dynamics of sugammadex-rocuronium complexation: A blueprint for cyclodextrin drug design.
Carbohydr Polym
; 334: 122018, 2024 Jun 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-38553217
15.
Unlocking the specificity of antimicrobial peptide interactions for membrane-targeted therapies.
Comput Struct Biotechnol J
; 25: 61-74, 2024 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-38695015
16.
Cyclodextrins: Establishing building blocks for AI-driven drug design by determining affinity constants in silico.
Comput Struct Biotechnol J
; 23: 1117-1128, 2024 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-38510974
17.
Unraveling lipid and inflammation interplay in cancer, aging and infection for novel theranostic approaches.
Front Immunol
; 15: 1320779, 2024.
Artigo
em Inglês
| MEDLINE | ID: mdl-38361953
18.
Overlay databank unlocks data-driven analyses of biomolecules for all.
Nat Commun
; 15(1): 1136, 2024 Feb 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-38326316
19.
Defining the nature of thermal intermediate in 3 state folding proteins: apoflavodoxin, a study case.
PLoS Comput Biol
; 8(8): e1002647, 2012.
Artigo
em Inglês
| MEDLINE | ID: mdl-22927805
20.
Molecular insights into the effects of focused ultrasound mechanotherapy on lipid bilayers: Unlocking the keys to design effective treatments.
J Colloid Interface Sci
; 650(Pt B): 1201-1210, 2023 Nov 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-37478737