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Combined effects of metal complexation and size expansion in the electronic structure of DNA base pairs

The Journal of chemical physics, 2011-05, Vol.134 (20), p.205102-205102-12

2011

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Quantum annealing versus classical machine learning applied to a simplified computational biology problem

npj quantum information, 2018-02, Vol.4 (1), p.1-10, Article 14

2018

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Vacancies in graphene: an application of adiabatic quantum optimization

Physical chemistry chemical physics : PCCP, 2020-12, Vol.22 (46), p.27332-27337

2020

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Effects of G-Quadruplex Topology on Electronic Transfer Integrals

Nanomaterials (Basel, Switzerland), 2016-10, Vol.6 (10), p.184-184

2016

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

Nature nanotechnology, 2014-12, Vol.9 (12), p.1040-1046

2014

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

Nucleic acids research, 2013-07, Vol.41 (Web Server issue), p.W56-W62

2013

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Interaction of Nucleic Acid Bases with the Au(111) Surface

Journal of chemical theory and computation, 2013-10, Vol.9 (10), p.4552-4561

2013

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The impact of G-quadruplex dynamics on inter-tetrad electronic couplings: a hybrid computational study

Physical chemistry chemical physics : PCCP, 2022-09, Vol.24 (37), p.22513-22522

2022

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

Materials, 2021-08, Vol.14 (17), p.4930

2021

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Landscape of DNA binding signatures of myocyte enhancer factor-2B reveals a unique interplay of base and shape readout

Nucleic acids research, 2020-09, Vol.48 (15), p.8529-8544

2020

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Absorption Properties of Metal–Semiconductor Hybrid Nanoparticles

ACS nano, 2011-06, Vol.5 (6), p.4712-4719

2011

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Water-Mediated Electron Transfer between Protein Redox Centers

The journal of physical chemistry. B, 2007-04, Vol.111 (14), p.3774-3781

2007

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Adsorption modes of cysteine on Au(111): thiolate, amino-thiolate, disulfide

The Journal of chemical physics, 2004-03, Vol.120 (10), p.4906-4914

2004

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Unraveling the Interaction between Histidine Side Chain and the Au(111) Surface: A DFT Study

Journal of physical chemistry. C, 2008-09, Vol.112 (35), p.13540-13545

2008

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Control of DNA minor groove width and Fis protein binding by the purine 2-amino group

Nucleic acids research, 2013-07, Vol.41 (13), p.6750-6760

2013

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Highly conductive self-assembled nanoribbons of coordination polymers

Nature nanotechnology, 2010-02, Vol.5 (2), p.110-115

2010

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Electronic Properties of Metal-Modified DNA Base Pairs

The journal of physical chemistry. B, 2008-11, Vol.112 (45), p.14281-14290

2008

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Mixing of electronic states in pentacene adsorption on copper

Physical review letters, 2007-07, Vol.99 (4), p.046802-046802, Article 046802

2007

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Porphyrin Intercalation in G4-DNA Quadruplexes by Molecular Dynamics Simulations

The journal of physical chemistry. B, 2009-10, Vol.113 (40), p.13152-13160

2009

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Is the G‑Quadruplex an Effective Nanoconductor for Ions?

The journal of physical chemistry. B, 2014-01, Vol.118 (4), p.864-872

2014

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Unraveling the mechanism of tip-enhanced molecular energy transfer

Communications chemistry, 2024-02, Vol.7 (1), p.32-32, Article 32

2024

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Dielectric Functions of Semiconductor Nanoparticles from the Optical Absorption Spectrum: The Case of CdSe and CdS

Journal of physical chemistry. C, 2010-03, Vol.114 (9), p.3776-3780

2010

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The structure of neuronal calcium sensor-1 in solution revealed by molecular dynamics simulations

PloS one, 2013-09, Vol.8 (9), p.e74383-e74383

2013

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Single-Molecule Folding Mechanism of an EF-Hand Neuronal Calcium Sensor

Structure (London), 2013-10, Vol.21 (10), p.1812-1821

2013

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Optical Properties of Triplex DNA from Time-Dependent Density Functional Theory

The journal of physical chemistry. B, 2012-09, Vol.116 (35), p.10693-10702

2012

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Combined effects of metal complexation and size expansion in the electronic structure of DNA base pairs

Quantum annealing versus classical machine learning applied to a simplified computational biology problem

Vacancies in graphene: an application of adiabatic quantum optimization

Effects of G-Quadruplex Topology on Electronic Transfer Integrals

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

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

Interaction of Nucleic Acid Bases with the Au(111) Surface

The impact of G-quadruplex dynamics on inter-tetrad electronic couplings: a hybrid computational study

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

Landscape of DNA binding signatures of myocyte enhancer factor-2B reveals a unique interplay of base and shape readout

Absorption Properties of Metal–Semiconductor Hybrid Nanoparticles

Water-Mediated Electron Transfer between Protein Redox Centers

Adsorption modes of cysteine on Au(111): thiolate, amino-thiolate, disulfide

Unraveling the Interaction between Histidine Side Chain and the Au(111) Surface: A DFT Study

Control of DNA minor groove width and Fis protein binding by the purine 2-amino group

Highly conductive self-assembled nanoribbons of coordination polymers

Electronic Properties of Metal-Modified DNA Base Pairs

Mixing of electronic states in pentacene adsorption on copper

Porphyrin Intercalation in G4-DNA Quadruplexes by Molecular Dynamics Simulations

Is the G‑Quadruplex an Effective Nanoconductor for Ions?

Unraveling the mechanism of tip-enhanced molecular energy transfer

Dielectric Functions of Semiconductor Nanoparticles from the Optical Absorption Spectrum: The Case of CdSe and CdS

The structure of neuronal calcium sensor-1 in solution revealed by molecular dynamics simulations

Single-Molecule Folding Mechanism of an EF-Hand Neuronal Calcium Sensor

Optical Properties of Triplex DNA from Time-Dependent Density Functional Theory

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