Alessandro Nicola Nardi | Ricerc@Sapienza

Pubblicazioni

Titolo	Pubblicato in	Anno
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
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
A study of cyanidin/alginate complexation: Influence of pH in assembly and chiral properties	CARBOHYDRATE POLYMERS	2023
Molecular Modeling of the Deamidation Reaction in Solution: A Theoretical-Computational Study	THE JOURNAL OF PHYSICAL CHEMISTRY. B	2023
Point mutations at a key site alter the cytochrome P450 oleP structural dynamics	BIOMOLECULES	2022
Theoretical Modeling of Redox Potentials of Biomolecules	MOLECULES	2022
Absorption behavior of doxorubicin hydrochloride in visible region in different environments: a combined experimental and computational study	PHYSICAL CHEMISTRY CHEMICAL PHYSICS	2022
Complexation and organization of doxorubicin on polystyrene sulfonate chains: impacts on doxorubicin dimerization and quenching	PHYSICAL CHEMISTRY CHEMICAL PHYSICS	2022
Rationalizing Sequence and Conformational Effects on the Guanine Oxidation in Different DNA Conformations	JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL	2022
PyMM: An Open-Source Python Program for QM/MM Simulations Based on the Perturbed Matrix Method	JOURNAL OF CHEMICAL THEORY AND COMPUTATION	2022
Modeling Charge Transfer Reactions by Hopping between Electronic Ground State Minima: Application to Hole Transfer between DNA Bases	MOLECULES	2022
Theoretical characterization of the reduction potentials of nucleic acids in solution	JOURNAL OF CHEMICAL THEORY AND COMPUTATION	2021

Progetti di Ricerca

Modellizzazione delle proprietà elettroniche e strutturali di acidi nucleici