Marco D'Abramo

Publications

Title Published on Year
Structure and dynamics of mesophilic variants from the homing endonuclease I-DmoI JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN 2017
The p53 tetramer shows an induced-fit interaction of the C-terminal domain with the DNA-binding domain ONCOGENE 2016
Kinetics and mechanistic study of competitive inhibition of thymidinephosphorylase by 5-fluoruracil derivatives COLLOIDS AND SURFACES. B, BIOINTERFACES 2016
Key players in I-DmoI endonuclease catalysis revealed from structure and dynamics ACS CHEMICAL BIOLOGY 2016
Effect of DNA on the conformational dynamics of the endonucleases I-DmoI as provided by molecular dynamics simulations BIOPOLYMERS 2016
Equilibrium between 5- and 6-fold coordination in the first hydration shell of Cu(II) JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY 2016
Photoinduced electron transfer in a dichromophoric peptide: a numerical experiment THEORETICAL CHEMISTRY ACCOUNTS 2016
Molecular dynamics study of naturally existing cavity couplings in proteins PLOS ONE 2015
Engineering a nickase on the homing endonuclease I-DmoI scaffold THE JOURNAL OF BIOLOGICAL CHEMISTRY 2015
Theoretical calculation of the pyrene emission properties in different solvents CHEMICAL PHYSICS LETTERS 2015
Role of the hydrophilic spacer of glucosylated amphiphiles included in liposome formulations in the recognition of Concanavalin A COLLOIDS AND SURFACES. B, BIOINTERFACES 2015
In silico characterization of protein partial molecular volumes and hydration shells PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2015

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

Keywords

Molecular Dynamics Simulation
biophysical modelling
computational chemistry
chemical thermodynamics
computational biology
physical and theoretical chemistry

Progetti di Ricerca

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