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What is the Origin of the Prepeak in the X-ray Scattering of Imidazolium-Based Room-Temperature Ionic Liquids?

The journal of physical chemistry. B, 2010-12, Vol.114 (50), p.16838-16846

2010

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Kinetic Model for NS1643 Drug Activation of WT and L529I Variants of Kv11.1 (hERG1) Potassium Channel

Biophysical journal, 2015-03, Vol.108 (6), p.1414-1424

2015

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Determinants of Isoform-Specific Gating Kinetics of hERG1 Channel: Combined Experimental and Simulation Study

Frontiers in physiology, 2018-04, Vol.9, p.207-207

2018

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Molecular Basis for the Electric Field Modulation of Cytochrome c Structure and Function

Journal of the American Chemical Society, 2009-11, Vol.131 (44), p.16248-16256

2009

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What is the Origin of the Prepeak in the X-ray Scattering of Imidazolium-Based Room-Temperature Ionic Liquids?

The journal of physical chemistry. B, 2011-08, Vol.115 (30), p.9507-9508

2011

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Microsecond simulations of DNA and ion transport in nanopores with novel ion-ion and ion-nucleotides effective potentials

Journal of computational chemistry, 2014-04, Vol.35 (9), p.711-721

2014

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BROMOC suite: Monte Carlo/Brownian dynamics suite for studies of ion permeation and DNA transport in biological and artificial pores with effective potentials

Journal of computational chemistry, 2015-02, Vol.36 (4), p.264-271

2015

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What controls open-pore and residual currents in the first sensing zone of alpha-hemolysin nanopore? Combined experimental and theoretical study

Nanoscale, 2016-01, Vol.8 (22), p.11571-11579

2016

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Novel equations to predict vibrational spectroscopic and electrodynamics properties of molecules

Journal of physics communications, 2018-04, Vol.2 (4), p.45031

Biase, Pablo M De

2018

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Exploring the molecular basis of human manganese superoxide dismutase inactivation mediated by tyrosine 34 nitration

Archives of biochemistry and biophysics, 2011-03, Vol.507 (2), p.304-309

2011

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Effect of confinement on DNA, solvent and counterion dynamics in a model biological nanopore

Nanoscale, 2014-08, Vol.6 (15), p.9006-9016

2014

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Dry Excess Electrons in Room-Temperature Ionic Liquids

Journal of the American Chemical Society, 2011-12, Vol.133 (50), p.20186-20193

2011

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BROMOCEA Code: An Improved Grand Canonical Monte Carlo/Brownian Dynamics Algorithm Including Explicit Atoms

Journal of chemical theory and computation, 2016-05, Vol.12 (5), p.2401-2417

2016

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BROMOC-D: Brownian Dynamics/Monte-Carlo Program Suite to Study Ion and DNA Permeation in Nanopores

Journal of chemical theory and computation, 2012-07, Vol.8 (7), p.2540-2551

2012

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Modeling heme proteins using atomistic simulations

Physical chemistry chemical physics : PCCP, 2006-01, Vol.8 (48), p.5611-5628

2006

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Mechanisms of NO Release by N 1-Nitrosomelatonin: Nucleophilic Attack versus Reducing Pathways

Journal of organic chemistry, 2005-07, Vol.70 (15), p.5790-5798

2005

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Dependence of Ions Transport by DNA Blockage in Alpha-Hemolysin and MspA Toxins Studied by Means of Gran-Canonical Monte-Carlo/Brownian Dynamics with Effective Potentials

Biophysical journal, 2013-01, Vol.104 (2), p.509a-509a

2013

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What controls open-pore and residual currents in the first sensing zone of alpha-hemolysin nanopore? Combined experimental and theoretical studyElectronic supplementary information (ESI) available: Statistical data on correlation between experimental and predicted conductance, ion densities in open and blocked pores and data on solvent structuring in nanopores. See DOI: 10.1039/c6nr00164e

2016-06

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Electric field effects on the reactivity of heme model systems

Chemical physics letters, 2007-01, Vol.434 (1), p.121-126

2007

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BROMOC-D: Bro wnian Dynamics/ Mo nte- C arlo Program Suite to Study Ion and DNA Permeation in Nanopores

Journal of chemical theory and computation, 2012-07, Vol.8 (7), p.2540-2551

2012

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HNO trapping and assisted decomposition of nitroxyl donors by ferric hemes

Polyhedron, 2007-10, Vol.26 (16), p.4673-4679

2007

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Mechanisms of NO Release by N1-Nitrosomelatonin: Nucleophilic Attack versus Reducing Pathways

Journal of organic chemistry, 2005-07, Vol.70 (15), p.5790-5798

2005

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Swarm Economy: A Model for Transactions in a Distributed and Organic IoT Platform

IEEE internet of things journal, 2019-06, Vol.6 (3), p.4561-4572

2019

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C–C Bond Formation and Decarboxylation

Practical Methods for Biocatalysis and Biotransformations 2, 2012, p.263-295

2012

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What is the Origin of the Prepeak in the X-ray Scattering of Imidazolium-Based Room-Temperature Ionic Liquids?

Kinetic Model for NS1643 Drug Activation of WT and L529I Variants of Kv11.1 (hERG1) Potassium Channel

Determinants of Isoform-Specific Gating Kinetics of hERG1 Channel: Combined Experimental and Simulation Study

Molecular Basis for the Electric Field Modulation of Cytochrome c Structure and Function

What is the Origin of the Prepeak in the X-ray Scattering of Imidazolium-Based Room-Temperature Ionic Liquids?

Microsecond simulations of DNA and ion transport in nanopores with novel ion-ion and ion-nucleotides effective potentials

BROMOC suite: Monte Carlo/Brownian dynamics suite for studies of ion permeation and DNA transport in biological and artificial pores with effective potentials

What controls open-pore and residual currents in the first sensing zone of alpha-hemolysin nanopore? Combined experimental and theoretical study

Novel equations to predict vibrational spectroscopic and electrodynamics properties of molecules

Exploring the molecular basis of human manganese superoxide dismutase inactivation mediated by tyrosine 34 nitration

Effect of confinement on DNA, solvent and counterion dynamics in a model biological nanopore

Dry Excess Electrons in Room-Temperature Ionic Liquids

BROMOCEA Code: An Improved Grand Canonical Monte Carlo/Brownian Dynamics Algorithm Including Explicit Atoms

BROMOC-D: Brownian Dynamics/Monte-Carlo Program Suite to Study Ion and DNA Permeation in Nanopores

Modeling heme proteins using atomistic simulations

Mechanisms of NO Release by N 1-Nitrosomelatonin: Nucleophilic Attack versus Reducing Pathways

Dependence of Ions Transport by DNA Blockage in Alpha-Hemolysin and MspA Toxins Studied by Means of Gran-Canonical Monte-Carlo/Brownian Dynamics with Effective Potentials

Electric field effects on the reactivity of heme model systems

BROMOC-D: Bro wnian Dynamics/ Mo nte- C arlo Program Suite to Study Ion and DNA Permeation in Nanopores

HNO trapping and assisted decomposition of nitroxyl donors by ferric hemes

Mechanisms of NO Release by N1-Nitrosomelatonin: Nucleophilic Attack versus Reducing Pathways

Swarm Economy: A Model for Transactions in a Distributed and Organic IoT Platform

C–C Bond Formation and Decarboxylation

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