Adrià Gil

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Faculdade de Ciências da Universidade de Lisboa

Portugal

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Recent Grants

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COMPUNANOBIOSOL - COMPUTATIONAL NANOBIOSOLUTIONS: IN SILICO DRUG DESIGN OF EFFICIENT METAL COMPLEXES AND POLYOXOMETALATES FOR CANCER TREATMENTS AND ANTIBIOTIC RESISTANCE

Open Date: 2019-04-02

Close Date: 2020-04-01

Grant: Close

NANOBIOSOLUÇÕES IN SILICO: CONCEPÇÃO COMPUTACIONAL DE COMPLEXOS METÁLICOS Y POLIOXOMETALATOS BIOATIVOS PARA APLICACIONES MÉDICAS

Open Date: 2018-09-01

Close Date: 2021-08-01

Grant: Close

NANOBIOSOLUCIONES NANOBIOSOLUCIONES IN SILICO: DISEÑO COMPUTACIONAL DE COMPLEJOS METÁLICOS Y POLIOXOMETALATOS BIOACTIVOS PARA APLICACIONES MÉDICAS

Open Date: 2017-10-01

Close Date: 2020-09-01

Grant: Close

Theoretical Studies on the Combustion Mechanism of Cyclic Species Containing Oxygen

Open Date: 2016-02-01

Close Date: 2016-03-01

Grant: Close

COMPUTATIONAL DESIGN OF BIOACTIVE ORGANOMETALLIC COMPLEXES AND POLYOXOMETALATE DERIVATIVES FOR CATALYTIC PROCESSES INVOLVING NUCLEOTIDES. MEDICAL APPLICATIONS

Open Date: 2013-01-01

Close Date: 2017-09-01

Articles (10)

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2022

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2021

Collaborators (3)

Oddur Ingólfsson

ICELAND

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Maria José Calhorda

Universidade de Aveiro

PORTUGAL

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Angel Sanchez-Gonzalez

Profesor

Universidad de Valladolid Escuela de Ingenierías Industriales

SPAIN

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Adrià Gil

Research Interests

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Recent Grants

Articles (10)

Influence of conventional hydrogen bonds in the intercalation of phenanthroline derivatives with DNA: The important role of the sugar and phosphate backbone

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

Semi-empirical and linear-scaling DFT methods to characterize duplex DNA and G-quadruplexes in the presence of interacting small molecules

Electron-Transfer-Induced Side-Chain Cleavage in Tryptophan Facilitated through Potassium-Induced Transition-State Stabilization in the Gas Phase

Mechanistic Insights into Promoted Hydrolysis of Phosphoester Bonds by MoO2Cl2(DMF)2

Cover Feature: Probing the Catalytically Active Species in POM‐Catalysed DNA‐Model Hydrolysis (Chem. Eur. J. 35/2021)

Probing the Catalytically Active Species in POM‐Catalysed DNA‐Model Hydrolysis**

Elucidating the intercalation of methylated 1,10-phenanthroline with DNA: the important weight of the CH/H interactions and the selectivity of CH/π and CH/n interactions

Elucidating the intercalation of methylated 1,10-phenanthroline with DNA: The important weight of the CH/H interactions and the selectivity of CH/π and CH/n interactions

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

Collaborators (3)

Oddur Ingólfsson

Maria José Calhorda

Angel Sanchez-Gonzalez

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