Lista de obras -

Ab initio study of structure and dynamics of the Si(100) surface

artículo científico publicado en 1995

Atomic and electronic structure at Au/CdSe interfaces

artículo científico publicado en 2008

DNAshape: a method for the high-throughput prediction of DNA structural features on a genomic scale.

artículo científico publicado en 2013

Dynamical treatment of charge transfer through duplex nucleic acids containing modified adenines.

scientific article published on 30 September 2013

Electrical behaviour of heterobimetallic [MM'(EtCS2)4] (MM'=NiPd, NiPt, PdPt) and MM'X-chain polymers [PtM(EtCS2)4I] (M=Ni, Pd)

artículo científico publicado en 2012

Electrical conductivity in platinum-dimer columns.

artículo científico publicado en 2008

Electronic structure of single DNA molecules resolved by transverse scanning tunnelling spectroscopy

scientific article published on 25 November 2007

Energy gap reduction in DNA by complexation with metal ions

artículo científico publicado en 2011

Enthalpy-Entropy Tuning in the Adsorption of Nucleobases at the Au(111) Surface

artículo científico publicado en 2014

Fingerprints of bonding motifs in DNA duplexes of adenine and thymine revealed from circular dichroism: synchrotron radiation experiments and TDDFT calculations.

artículo científico publicado en 2009

First-Principles Theory of Correlated Transport through Nanojunctions

artículo científico publicado en 2005

First-principles density-functional theory calculations of electron-transfer rates in azurin dimers.

artículo científico publicado en 2006

GolP: An atomistic force-field to describe the interaction of proteins with Au(111) surfaces in water

artículo científico publicado en 2009

Highly conductive self-assembled nanoribbons of coordination polymers

artículo científico publicado en 2009

Hydrogen-induced surface metallization of beta-SiC(100)-(3x2) revisited by density functional theory calculations

artículo científico publicado en 2005

Hydroxyl-Rich β-Sheet Adhesion to the Gold Surface in Water by First-Principle Simulations

artículo científico publicado en 2010

Is the G-quadruplex an effective nanoconductor for ions?

artículo científico publicado en 2014

LCAO Electronic Structure of Nucleic Acid Bases and Other Heterocycles and Transfer Integrals in B-DNA, Including Structural Variability

artículo científico publicado en 2021

Long-range charge transport in single G-quadruplex DNA molecules.

artículo científico publicado en 2014

Metallicity in individual MMX chains

scientific article published on 26 March 2008

Mixing of Electronic States in Pentacene Adsorption on Copper

artículo científico publicado en 2007

On the Magnetic Alignment of Metal Ions in a DNA-Mimic Double Helix

scientific article (publication date: August 2005)

Optical properties of triplex DNA from time-dependent density functional theory

artículo científico publicado en 2012

Polarizability of G4-DNA observed by electrostatic force microscopy measurements

artículo científico publicado en 2007

Porphyrin intercalation in G4-DNA quadruplexes by molecular dynamics simulations

artículo científico publicado en 2009

Probing charge transport in oxidatively damaged DNA sequences under the influence of structural fluctuations

scientific article published on 04 September 2012

Protein-Mutation-Induced Conformational Changes of the DNA and Nuclease Domain in CRISPR/Cas9 Systems by Molecular Dynamics Simulations

artículo científico publicado en 2020

Proteinâ surface interactions: challenging experiments and computations

artículo científico publicado en 2010

Retention of nativelike conformation by proteins embedded in high external electric fields

artículo científico publicado en 2005

Self-assembly of mono- and bidentate oligoarylene thiols onto polycrystalline Au

scientific article published on 18 October 2013

Stability and migration of metal ions in G4-wires by molecular dynamics simulations.

artículo científico publicado en 2006

Strain-dependence of the electronic properties in periodic quadruple helical G4-wires

artículo científico publicado en 2005

The RNA Polymerase α Subunit Recognizes the DNA Shape of the Upstream Promoter Element

artículo científico publicado en 2020

Towards a gauge invariant method for molecular chiroptical properties in TDDFT

artículo científico publicado en 2009

Water Effects on Electron Transfer in Azurin Dimers

scientific article published on 01 November 2006

Lista de obras de

Ab initio study of structure and dynamics of the Si(100) surface

Atomic and electronic structure at Au/CdSe interfaces

DNAshape: a method for the high-throughput prediction of DNA structural features on a genomic scale.

Dynamical treatment of charge transfer through duplex nucleic acids containing modified adenines.

Electrical behaviour of heterobimetallic [MM'(EtCS2)4] (MM'=NiPd, NiPt, PdPt) and MM'X-chain polymers [PtM(EtCS2)4I] (M=Ni, Pd)

Electrical conductivity in platinum-dimer columns.

Electronic structure of single DNA molecules resolved by transverse scanning tunnelling spectroscopy

Energy gap reduction in DNA by complexation with metal ions

Enthalpy-Entropy Tuning in the Adsorption of Nucleobases at the Au(111) Surface

Fingerprints of bonding motifs in DNA duplexes of adenine and thymine revealed from circular dichroism: synchrotron radiation experiments and TDDFT calculations.

First-Principles Theory of Correlated Transport through Nanojunctions

First-principles density-functional theory calculations of electron-transfer rates in azurin dimers.

GolP: An atomistic force-field to describe the interaction of proteins with Au(111) surfaces in water

Highly conductive self-assembled nanoribbons of coordination polymers

Hydrogen-induced surface metallization of beta-SiC(100)-(3x2) revisited by density functional theory calculations

Hydroxyl-Rich β-Sheet Adhesion to the Gold Surface in Water by First-Principle Simulations

Is the G-quadruplex an effective nanoconductor for ions?

LCAO Electronic Structure of Nucleic Acid Bases and Other Heterocycles and Transfer Integrals in B-DNA, Including Structural Variability

Long-range charge transport in single G-quadruplex DNA molecules.

Metallicity in individual MMX chains

Mixing of Electronic States in Pentacene Adsorption on Copper

On the Magnetic Alignment of Metal Ions in a DNA-Mimic Double Helix

Optical properties of triplex DNA from time-dependent density functional theory

Polarizability of G4-DNA observed by electrostatic force microscopy measurements

Porphyrin intercalation in G4-DNA quadruplexes by molecular dynamics simulations

Probing charge transport in oxidatively damaged DNA sequences under the influence of structural fluctuations

Protein-Mutation-Induced Conformational Changes of the DNA and Nuclease Domain in CRISPR/Cas9 Systems by Molecular Dynamics Simulations

Proteinâ surface interactions: challenging experiments and computations

Retention of nativelike conformation by proteins embedded in high external electric fields

Self-assembly of mono- and bidentate oligoarylene thiols onto polycrystalline Au

Stability and migration of metal ions in G4-wires by molecular dynamics simulations.

Strain-dependence of the electronic properties in periodic quadruple helical G4-wires

The RNA Polymerase α Subunit Recognizes the DNA Shape of the Upstream Promoter Element

Towards a gauge invariant method for molecular chiroptical properties in TDDFT

Water Effects on Electron Transfer in Azurin Dimers