Lista de obras - Marco D'abramo - Dominio Público Uruguay

2-(Hydroxyimino)aldehydes: Photo- and Physicochemical Properties of a Versatile Functional Group for Monomer Design

artículo científico publicado en 2018

A Stereochemically Driven Supramolecular Polymerization.

artículo científico publicado en 2018

Charge transfer equilibria of aqueous single stranded DNA.

artículo científico publicado en 2009

Computational Modeling of the Thermodynamics of the Mesophilic and Thermophilic Mutants of Trp-Cage Miniprotein

artículo científico publicado en 2022

Conformational behavior of temporin A and temporin L in aqueous solution: a computational/experimental study

artículo científico publicado en 2006

Conformational selection versus induced fit in kinases: the case of PI3K-γ.

artículo científico publicado en 2011

Density discriminates between thermophilic and mesophilic proteins

artículo científico publicado en 2017

Effect of DNA on the conformational dynamics of the endonucleases I-DmoI as provided by molecular dynamics simulations.

artículo científico publicado en 2016

Effects of local electric fields on the redox free energy of single stranded DNA

artículo científico publicado en 2010

Efficient and Accurate Modeling of Conformational Transitions in Proteins: The Case of c-Src Kinase

artículo científico publicado en 2018

Engineering a Nickase on the Homing Endonuclease I-DmoI Scaffold.

artículo científico publicado en 2015

Equilibrium between 5- and 6-Fold Coordination in the First Hydration Shell of Cu(II).

artículo científico publicado en 2016

Evolutionary Modes in Protein Observable Space: The Case of Thioredoxins

artículo científico publicado en 2019

FlexServ: an integrated tool for the analysis of protein flexibility.

artículo científico publicado en 2009

Fluorescence and computational studies of thymidine phosphorylase affinity toward lipidated 5-FU derivatives

artículo científico publicado en 2018

Ground and excited electronic state thermodynamics of aqueous carbon monoxide: a theoretical study

scientific article published on 01 March 2005

In silico characterization of protein partial molecular volumes and hydration shells.

artículo científico publicado en 2015

Insights into the Interaction Mechanism of DTP3 with MKK7 by Using STD-NMR and Computational Approaches

artículo científico publicado en 2020

Key Players in I-DmoI Endonuclease Catalysis Revealed from Structure and Dynamics.

artículo científico publicado en 2016

Kinetics and mechanistic study of competitive inhibition of thymidine phosphorylase by 5-fluoruracil derivatives.

artículo científico publicado en 2015

Kinetics of carbon monoxide migration and binding in solvated myoglobin as revealed by molecular dynamics simulations and quantum mechanical calculations

artículo científico publicado en 2009

MoDEL (Molecular Dynamics Extended Library): a database of atomistic molecular dynamics trajectories

artículo científico publicado en 2010

Modeling conformational transitions in kinases by molecular dynamics simulations: achievements, difficulties, and open challenges

artículo científico

Molecular Dynamics Simulations Reveal Canonical Conformations in Different pMHC/TCR Interactions

artículo científico publicado en 2020

Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus

artículo científico publicado en 2011

Molecular dynamics study of naturally existing cavity couplings in proteins

artículo científico publicado en 2015

Molecular mechanisms of activation in CDK2.

artículo científico publicado en 2013

Non-specific protein-DNA interactions control I-CreI target binding and cleavage

artículo científico publicado en 2012

On the Use of low-resolution Data to Improve Structure Prediction of Proteins and Protein Complexes

artículo científico publicado en 2009

On the activation and deactivation pathways of the Lck kinase domain: a computational study

artículo científico publicado en 2019

On the nature of DNA hyperchromic effect

artículo científico publicado en 2013

On the use of the quasi-Gaussian entropy theory in the study of simulated dilute solutions

artículo científico publicado en 2004

PyMM: An Open-Source Python Program for QM/MM Simulations Based on the Perturbed Matrix Method

artículo científico publicado en 2022

Quantitative Characterization of Binding Pockets and Binding Complementarity by Means of Zernike Descriptors

artículo científico publicado en 2020

Role of the hydrophilic spacer of glucosylated amphiphiles included in liposome formulations in the recognition of Concanavalin A.

artículo científico publicado en 2015

Structural characterization of protein-protein complexes by integrating computational docking with small-angle scattering data

artículo científico publicado en 2010

Structure and dynamics of mesophilic variants from the homing endonuclease I-DmoI.

artículo científico publicado en 2017

The p53 tetramer shows an induced-fit interaction of the C-terminal domain with the DNA-binding domain

artículo científico publicado en 2015

Theoretical Characterization of the Reduction Potentials of Nucleic Acids in Solution

artículo científico publicado en 2021

Theoretical characterisation of the electronic excitation in liquid water

artículo científico publicado en 2005

Theoretical characterization of alpha-helix and beta-hairpin folding kinetics.

artículo científico publicado en 2005

Theoretical characterization of electronic states in interacting chemical systems

artículo científico publicado en 2009

Theoretical characterization of temperature and density dependence of liquid water electronic excitation energy: comparison with recent experimental data.

artículo científico publicado en 2008

Theoretical characterization of the dynamical behavior and transport properties of alpha,gamma-peptide nanotubes in solution.

artículo científico publicado en 2009

Theoretical modeling of UV-Vis absorption and emission spectra in liquid state systems including vibrational and conformational effects: explicit treatment of the vibronic transitions.

artículo científico publicado en 2014

Theoretical modeling of the valence UV spectra of 1,2,3-triazine and uracil in solution.

artículo científico publicado en 2006

Theoretical modeling of vibroelectronic quantum states in complex molecular systems: solvated carbon monoxide, a test case

artículo científico publicado en 2005

Theoretical-computational modeling of photo-induced charge separation spectra and charge recombination kinetics in solution.

artículo científico publicado en 2014

Theoretical-computational modelling of the temperature dependence of the folding-unfolding thermodynamics and kinetics: the case of a Trp-cage

scientific article published on 01 October 2019

Understanding the indirect DNA read-out specificity of I-CreI Meganuclease

artículo científico publicado en 2018

Unusual Placement of an EBV Epitope into the Groove of the Ankylosing Spondylitis-Associated HLA-B27 Allele Allows CD8+ T Cell Activation

scientific article published on 11 June 2019

Lista de obras de Marco D'abramo

2-(Hydroxyimino)aldehydes: Photo- and Physicochemical Properties of a Versatile Functional Group for Monomer Design

A Stereochemically Driven Supramolecular Polymerization.

Charge transfer equilibria of aqueous single stranded DNA.

Computational Modeling of the Thermodynamics of the Mesophilic and Thermophilic Mutants of Trp-Cage Miniprotein

Conformational behavior of temporin A and temporin L in aqueous solution: a computational/experimental study

Conformational selection versus induced fit in kinases: the case of PI3K-γ.

Density discriminates between thermophilic and mesophilic proteins

Effect of DNA on the conformational dynamics of the endonucleases I-DmoI as provided by molecular dynamics simulations.

Effects of local electric fields on the redox free energy of single stranded DNA

Efficient and Accurate Modeling of Conformational Transitions in Proteins: The Case of c-Src Kinase

Engineering a Nickase on the Homing Endonuclease I-DmoI Scaffold.

Equilibrium between 5- and 6-Fold Coordination in the First Hydration Shell of Cu(II).

Evolutionary Modes in Protein Observable Space: The Case of Thioredoxins

FlexServ: an integrated tool for the analysis of protein flexibility.

Fluorescence and computational studies of thymidine phosphorylase affinity toward lipidated 5-FU derivatives

Ground and excited electronic state thermodynamics of aqueous carbon monoxide: a theoretical study

In silico characterization of protein partial molecular volumes and hydration shells.

Insights into the Interaction Mechanism of DTP3 with MKK7 by Using STD-NMR and Computational Approaches

Key Players in I-DmoI Endonuclease Catalysis Revealed from Structure and Dynamics.

Kinetics and mechanistic study of competitive inhibition of thymidine phosphorylase by 5-fluoruracil derivatives.

Kinetics of carbon monoxide migration and binding in solvated myoglobin as revealed by molecular dynamics simulations and quantum mechanical calculations

MoDEL (Molecular Dynamics Extended Library): a database of atomistic molecular dynamics trajectories

Modeling conformational transitions in kinases by molecular dynamics simulations: achievements, difficulties, and open challenges

Molecular Dynamics Simulations Reveal Canonical Conformations in Different pMHC/TCR Interactions

Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus

Molecular dynamics study of naturally existing cavity couplings in proteins

Molecular mechanisms of activation in CDK2.

Non-specific protein-DNA interactions control I-CreI target binding and cleavage

On the Use of low-resolution Data to Improve Structure Prediction of Proteins and Protein Complexes

On the activation and deactivation pathways of the Lck kinase domain: a computational study

On the nature of DNA hyperchromic effect

On the use of the quasi-Gaussian entropy theory in the study of simulated dilute solutions

PyMM: An Open-Source Python Program for QM/MM Simulations Based on the Perturbed Matrix Method

Quantitative Characterization of Binding Pockets and Binding Complementarity by Means of Zernike Descriptors

Role of the hydrophilic spacer of glucosylated amphiphiles included in liposome formulations in the recognition of Concanavalin A.

Structural characterization of protein-protein complexes by integrating computational docking with small-angle scattering data

Structure and dynamics of mesophilic variants from the homing endonuclease I-DmoI.

The p53 tetramer shows an induced-fit interaction of the C-terminal domain with the DNA-binding domain

Theoretical Characterization of the Reduction Potentials of Nucleic Acids in Solution

Theoretical characterisation of the electronic excitation in liquid water

Theoretical characterization of alpha-helix and beta-hairpin folding kinetics.

Theoretical characterization of electronic states in interacting chemical systems

Theoretical characterization of temperature and density dependence of liquid water electronic excitation energy: comparison with recent experimental data.

Theoretical characterization of the dynamical behavior and transport properties of alpha,gamma-peptide nanotubes in solution.

Theoretical modeling of UV-Vis absorption and emission spectra in liquid state systems including vibrational and conformational effects: explicit treatment of the vibronic transitions.

Theoretical modeling of the valence UV spectra of 1,2,3-triazine and uracil in solution.

Theoretical modeling of vibroelectronic quantum states in complex molecular systems: solvated carbon monoxide, a test case

Theoretical-computational modeling of photo-induced charge separation spectra and charge recombination kinetics in solution.

Theoretical-computational modelling of the temperature dependence of the folding-unfolding thermodynamics and kinetics: the case of a Trp-cage

Understanding the indirect DNA read-out specificity of I-CreI Meganuclease

Unusual Placement of an EBV Epitope into the Groove of the Ankylosing Spondylitis-Associated HLA-B27 Allele Allows CD8+ T Cell Activation