Lista de obras - Giovanni La Penna - Dominio Público Uruguay

A first-principle calculation of the XANES spectrum of Cu(2+) in water.

artículo científico publicado en 2015

Ab initio simulations of Cu binding sites on the N-terminal region of prion protein

artículo científico publicado en 2007

Combined EPR and molecular modeling study of PPI dendrimers interacting with copper ions: effect of generation and maltose decoration

artículo científico

Computational Model to Unravel the Function of Amyloid-β Peptides in Contact with a Phospholipid Membrane

artículo científico publicado en 2020

Computational models explain how copper binding to amyloid-β peptide oligomers enhances oxidative pathways

scientific article published on 01 April 2019

Conformational Dynamics of Hyaluronan in Solution. 2. Mode-Coupling Diffusion Approach to Oligomers

Copper Binding Induces Polymorphism in Amyloid-β Peptide: Results of Computational Models

artículo científico publicado en 2018

Dealing with Cu reduction in X-ray absorption spectroscopy experiments

scientific article published on 03 July 2019

Designing generalized statistical ensembles for numerical simulations of biopolymers.

artículo científico publicado en 2004

Electrostatic interactions with histone tails may bend linker DNA in chromatin

artículo científico publicado en 2006

Emergence of Barrel Motif in Amyloid-β Trimer: A Computational Study

artículo científico publicado en 2020

Exploring the Reactions of β-Amyloid (Aβ) Peptide 1–28 with AlIIIand FeIIIIons

artículo científico publicado en 2011

Free Superoxide is an Intermediate in the Production of H2O2 by Copper(I)-Aβ Peptide and O2.

artículo científico publicado en 2015

Generalized electrostatic model of the wrapping of DNA around oppositely charged proteins

artículo científico publicado en 2007

Identifying, by first-principles simulations, Cu[amyloid-β] species making Fenton-type reactions in Alzheimer's disease

artículo científico publicado en 2013

Impact of Cu(II) Binding on Structures and Dynamics of Aβ42 Monomer and Dimer: Molecular Dynamics Study.

artículo científico publicado en 2016

Insights into the mechanisms of amyloid formation of Zn(II)-Ab11-28: pH-dependent zinc coordination and overall charge as key parameters for kinetics and the structure of Zn(II)-Ab11-28 aggregates

artículo científico publicado en 2012

Measuring electron sharing between atoms in first-principle simulations

Metal ions and intrinsically disordered proteins and peptides: from Cu/Zn amyloid-β to general principles

artículo científico publicado en 2014

Mode-coupling smoluchowski dynamics of a double-stranded DNA oligomer

artículo científico publicado en 1999

Modeling (15)N NMR chemical shift changes in protein backbone with pressure

artículo científico publicado en 2016

Modeling H3 histone N-terminal tail and linker DNA interactions

artículo científico publicado en 2006

Modeling copper binding to the amyloid-β peptide at different pH: toward a molecular mechanism for Cu reduction.

artículo científico publicado en 2012

Modeling of the Zn2+ binding in the 1-16 region of the amyloid beta peptide involved in Alzheimer's disease

artículo científico publicado en 2009

Modeling the Cu+ binding in the 1-16 region of the amyloid-β peptide involved in Alzheimer's disease.

artículo científico publicado en 2010

Modeling the dynamics of a mutated stem-loop in the SL1 domain of HIV-1Lai genomic RNA by 1H-NOESY spectra

artículo científico publicado en 2001

Modeling the dynamics of the solvated SL1 domain of HIV-1 genomic RNA.

artículo científico publicado en 2003

Modeling the interplay of glycine protonation and multiple histidine binding of copper in the prion protein octarepeat subdomains.

artículo científico publicado en 2008

Molecular statistics of cytochrome c: structural plasticity and molecular environment

artículo científico publicado en 2006

Multi-scale theoretical approach to X-ray absorption spectra in disordered systems: an application to the study of Zn(ii) in water

artículo científico publicado en 2018

Predicting the Structure of Enzymes with Metal Cofactors: The Example of [FeFe] Hydrogenases

artículo científico publicado en 2024

Smoluchowski dynamics of the vnd/NK-2 homeodomain from Drosophila melanogaster: first-order mode-coupling approximation

artículo científico publicado en 1999

The enzymatic mechanism of carboxypeptidase: a molecular dynamics study

artículo científico publicado en 1994

The mechanism of hydrogen uptake in [NiFe] hydrogenase: first-principles molecular dynamics investigation of a model compound.

artículo científico publicado en 2011

Towards a high-throughput modelling of copper reactivity induced by structural disorder in amyloid peptides.

artículo científico publicado en 2017

Understanding the Exceptional Properties of Nitroacetamides in Water: A Computational Model Including the Solvent

Wrapped-around models for the lac operon complex.

artículo científico publicado en 2010

Zn induced structural aggregation patterns of β-amyloid peptides by first-principle simulations and XAS measurements.

artículo científico publicado en 2011

Lista de obras de Giovanni La Penna

A first-principle calculation of the XANES spectrum of Cu(2+) in water.

Ab initio simulations of Cu binding sites on the N-terminal region of prion protein

Combined EPR and molecular modeling study of PPI dendrimers interacting with copper ions: effect of generation and maltose decoration

Computational Model to Unravel the Function of Amyloid-β Peptides in Contact with a Phospholipid Membrane

Computational models explain how copper binding to amyloid-β peptide oligomers enhances oxidative pathways

Conformational Dynamics of Hyaluronan in Solution. 2. Mode-Coupling Diffusion Approach to Oligomers

Copper Binding Induces Polymorphism in Amyloid-β Peptide: Results of Computational Models

Dealing with Cu reduction in X-ray absorption spectroscopy experiments

Designing generalized statistical ensembles for numerical simulations of biopolymers.

Electrostatic interactions with histone tails may bend linker DNA in chromatin

Emergence of Barrel Motif in Amyloid-β Trimer: A Computational Study

Exploring the Reactions of β-Amyloid (Aβ) Peptide 1–28 with AlIIIand FeIIIIons

Free Superoxide is an Intermediate in the Production of H2O2 by Copper(I)-Aβ Peptide and O2.

Generalized electrostatic model of the wrapping of DNA around oppositely charged proteins

Identifying, by first-principles simulations, Cu[amyloid-β] species making Fenton-type reactions in Alzheimer's disease

Impact of Cu(II) Binding on Structures and Dynamics of Aβ42 Monomer and Dimer: Molecular Dynamics Study.

Insights into the mechanisms of amyloid formation of Zn(II)-Ab11-28: pH-dependent zinc coordination and overall charge as key parameters for kinetics and the structure of Zn(II)-Ab11-28 aggregates

Measuring electron sharing between atoms in first-principle simulations

Metal ions and intrinsically disordered proteins and peptides: from Cu/Zn amyloid-β to general principles

Mode-coupling smoluchowski dynamics of a double-stranded DNA oligomer

Modeling (15)N NMR chemical shift changes in protein backbone with pressure

Modeling H3 histone N-terminal tail and linker DNA interactions

Modeling copper binding to the amyloid-β peptide at different pH: toward a molecular mechanism for Cu reduction.

Modeling of the Zn2+ binding in the 1-16 region of the amyloid beta peptide involved in Alzheimer's disease

Modeling the Cu+ binding in the 1-16 region of the amyloid-β peptide involved in Alzheimer's disease.

Modeling the dynamics of a mutated stem-loop in the SL1 domain of HIV-1Lai genomic RNA by 1H-NOESY spectra

Modeling the dynamics of the solvated SL1 domain of HIV-1 genomic RNA.

Modeling the interplay of glycine protonation and multiple histidine binding of copper in the prion protein octarepeat subdomains.

Molecular statistics of cytochrome c: structural plasticity and molecular environment

Multi-scale theoretical approach to X-ray absorption spectra in disordered systems: an application to the study of Zn(ii) in water

Predicting the Structure of Enzymes with Metal Cofactors: The Example of [FeFe] Hydrogenases

Smoluchowski dynamics of the vnd/NK-2 homeodomain from Drosophila melanogaster: first-order mode-coupling approximation

The enzymatic mechanism of carboxypeptidase: a molecular dynamics study

The mechanism of hydrogen uptake in [NiFe] hydrogenase: first-principles molecular dynamics investigation of a model compound.

Towards a high-throughput modelling of copper reactivity induced by structural disorder in amyloid peptides.

Understanding the Exceptional Properties of Nitroacetamides in Water: A Computational Model Including the Solvent

Wrapped-around models for the lac operon complex.

Zn induced structural aggregation patterns of β-amyloid peptides by first-principle simulations and XAS measurements.