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1.
Influence of conventional hydrogen bonds in the intercalation of phenanthroline derivatives with DNA: The important role of the sugar and phosphate backbone.
J Comput Chem
; 43(11): 804-821, 2022 04 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-35297513
2.
Unravelling the binding affinity and selectivity of molybdenum(II) phenanthroline complexes with DNA G-quadruplexes by using linear-scaling DFT studies. The important role of ancillary ligands.
Phys Chem Chem Phys
; 24(42): 25918-25929, 2022 Nov 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-36260061
3.
Semi-empirical and linear-scaling DFT methods to characterize duplex DNA and G-quadruplexes in the presence of interacting small molecules.
Phys Chem Chem Phys
; 24(19): 11510-11519, 2022 May 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-35362496
4.
Probing the Catalytically Active Species in POM-Catalysed DNA-Model Hydrolysis*.
Chemistry
; 27(35): 8977-8984, 2021 Jun 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-33885198
5.
Mechanistic Insights into Promoted Hydrolysis of Phosphoester Bonds by MoO2Cl2(DMF)2.
Inorg Chem
; 60(15): 11177-11191, 2021 Aug 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-34270231
6.
From groove binding to intercalation: unravelling the weak interactions and other factors modulating the modes of interaction between methylated phenanthroline-based drugs and duplex DNA.
Phys Chem Chem Phys
; 23(47): 26680-26695, 2021 Dec 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-34825685
7.
Electron-Transfer-Induced Side-Chain Cleavage in Tryptophan Facilitated through Potassium-Induced Transition-State Stabilization in the Gas Phase.
J Phys Chem A
; 125(11): 2324-2333, 2021 Mar 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-33710888
8.
New Insights on the Interaction of Phenanthroline Based Ligands and Metal Complexes and Polyoxometalates with Duplex DNA and G-Quadruplexes.
Molecules
; 26(16)2021 Aug 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-34443326
9.
Computational Studies on the Binding Preferences of Molybdenum(II) Phenanthroline Complexes with Duplex DNA. The Important Role of the Ancillary Ligands.
Inorg Chem
; 59(17): 12711-12721, 2020 Sep 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-32806012
10.
Unraveling the Modulation of the Activity in Drugs Based on Methylated Phenanthroline When Intercalating between DNA Base Pairs.
J Chem Inf Model
; 59(9): 3989-3995, 2019 09 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-31419117
11.
On the H2 interactions with transition metal adatoms supported on graphene: a systematic density functional study.
Phys Chem Chem Phys
; 20(5): 3819-3830, 2018 Jan 31.
Artículo
en Inglés
| MEDLINE | ID: mdl-29349455
12.
Effects of oxygenation on the intercalation of 1,10-phenanthroline-5,6/4,7-dione between DNA base pairs: a computational study.
Phys Chem Chem Phys
; 19(25): 16638-16649, 2017 Jun 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-28621352
13.
Self-Assembly of Uranyl-Peroxide Nanocapsules in Basic Peroxidic Environments.
Chemistry
; 22(25): 8571-8, 2016 06 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-27165671
14.
The energy landscape of uranyl-peroxide species.
Chemistry
; 20(13): 3646-51, 2014 Mar 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-24604754
15.
The role of intermolecular interactions in [Fe(X-salEen)2]ClO4 spin crossover complexes.
Dalton Trans
; 53(20): 8791-8802, 2024 May 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-38713065
16.
Modulation of lipid-induced ER stress by fatty acid shape.
Traffic
; 12(3): 349-62, 2011 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-21143717
17.
Catalysis in a porous molecular capsule: activation by regulated access to sixty metal centers spanning a truncated icosahedron.
J Am Chem Soc
; 134(31): 13082-8, 2012 Aug 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-22765884
18.
A journey inside the U28 nanocapsule.
Chemistry
; 18(27): 8340-6, 2012 Jul 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-22623159
19.
Computational Modelling of the Interactions Between Polyoxometalates and Biological Systems.
Front Chem
; 10: 876630, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-35494630
20.
Relationship between structure and cytotoxicity of vanadium and molybdenum complexes with pyridoxal derived ligands.
J Inorg Biochem
; 235: 111937, 2022 Oct.
Artículo
en Inglés
| MEDLINE | ID: mdl-35870443