Marco D'Abramo | Ricerc@Sapienza

Pubblicazioni

Titolo	Pubblicato in	Anno
A partial human LCK defect causes a T cell immunodeficiency with intestinal inflammation	JOURNAL OF EXPERIMENTAL MEDICINE	2024
Modeling the temperature dependence of the fluorescence properties of Indole in aqueous solution	SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY	2024
A finely balanced order–disorder equilibrium sculpts the folding–binding landscape of an antibiotic sequestering protein	PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA	2024
Conformational and dynamic properties of the KH1 domain of FMRP and its fragile X syndrome linked G266E variant	BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS	2024
Binding of steroid substrates reveals the key to the productive transition of the cytochrome P450 OleP	STRUCTURE	2024
A spectroscopic and structural study on the solvent-promoted stereospecific self-assembly of new Porphyrin-Bile salt conjugates	COLLOIDS AND SURFACES. A, PHYSICOCHEMICAL AND ENGINEERING ASPECTS	2024
Theoretical Insights into MutY Glycosylase DNA Repair Mechanism	BIOCHEMISTRY	2024
Supramolecular citrate poly allylamine hydrochloride nanoparticles for citrate delivery and calcium oxalate nanocrystal dissolution	JOURNAL OF COLLOID AND INTERFACE SCIENCE	2024
Unveiling the Cleavage Mechanism of an RNA Model Compound on the whole pH Scale: Computations Meet Experiments in the Determination of Reaction Rates	CHEMPHYSCHEM	2024
A Theoretical‐Computational Study of Phosphodiester Bond Cleavage Kinetics as a Function of the Temperature	CHEMPHYSCHEM	2024
Effect of Salts on the Conformational Dynamics of the Cytochrome P450 OleP	MOLECULES	2023
Modelling Complex Bimolecular Reactions in a Condensed Phase: The Case of Phosphodiester Hydrolysis	MOLECULES	2023
P1 Push-Pull Dye as a Case Study in QM/MM Theoretical Characterization for Dye-sensitized Solar Cell Organic Chromophores**	CHEMISTRYSELECT	2023
A study of cyanidin/alginate complexation: Influence of pH in assembly and chiral properties	CARBOHYDRATE POLYMERS	2023
Unveiling the Excited State Dynamics of Indole in Solution	JOURNAL OF CHEMICAL THEORY AND COMPUTATION	2023
ERAP1 and ERAP2 Haplotypes Influence Suboptimal HLA-B*27:05-Restricted Anti-Viral CD8+ T Cell Responses Cross-Reactive to Self-Epitopes	INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES	2023
Molecular Modeling of the Deamidation Reaction in Solution: A Theoretical-Computational Study	THE JOURNAL OF PHYSICAL CHEMISTRY. B	2023
Electric-driven membrane poration. A rationale for water role in the kinetics of pore formation	BIOELECTROCHEMISTRY	2022
Point mutations at a key site alter the cytochrome P450 oleP structural dynamics	BIOMOLECULES	2022
Theoretical-computational modelling of the L-alanine CD spectrum in water	COMPUTATIONAL AND THEORETICAL CHEMISTRY	2022

ERC

LS1_7
PE4_11
PE4_12
PE4_13
PE5_11
PE5_12

KET

Big data & computing
Life-science technologies & biotechnologies
Micro/nano electronics & photonics

Interessi di ricerca

Gli interessi principali riguardano la modellizzazione di sistemi complessi di interesse chimico e biologico.

Maggiori dettagli qui:

https://sites.google.com/a/uniroma1.it/marcodabramo-eng/home

Keywords

Molecular Dynamics Simulation

biophysical modelling

computational chemistry

chemical thermodynamics

computational biology

physical and theoretical chemistry

Progetti di Ricerca

Laboratori di ricerca

Cluster di Calcolo

LIFS-info