Lista de obras -

A Conserved Kinase-Based Body-Temperature Sensor Globally Controls Alternative Splicing and Gene Expression

scientific article published on 13 February 2020

AM1/d Parameters for Magnesium in Metalloenzymes

artículo científico publicado en 2006

Base flip in DNA studied by molecular dynamics simulationsof differently-oxidized forms of methyl-Cytosine

artículo científico publicado en 2014

Catalytic mechanism of DNA backbone cleavage by the restriction enzyme EcoRV: a quantum mechanical/molecular mechanical analysis

artículo científico publicado en 2009

Catalytic transesterification of dialkyl phosphates by a bioinspired dicopper(II) macrocyclic complex

artículo científico publicado en 2005

Computational Study of Absorption Spectra of the Photoconvertible Fluorescent Protein EosFP in Different Protonation States

artículo científico publicado en 2012

Corrigendum: Sequences flanking the core-binding site modulate glucocorticoid receptor structure and activity

artículo científico publicado en 2016

Geometry change of simple aromatics upon electronic excitation obtained from Franck-Condon fits of dispersed fluorescence spectra

artículo científico publicado en 2004

Hydrogen-Bonded Network and Water Dynamics in the D-channel of Cytochrome c Oxidase.

artículo científico publicado en 2018

Hydrophobic but Water-Friendly: Favorable Water-Perfluoromethyl Interactions Promote Hydration Shell Defects

artículo científico publicado en 2019

In Silico Study of Camptothecin-Based Pro-Drugs Binding to Human Carboxylesterase 2

artículo científico publicado en 2024

Increasing cleavage specificity and activity of restriction endonuclease KpnI.

artículo científico publicado en 2013

Interactions of the DNA Repair Enzyme Human Thymine DNA Glycosylase with Cognate and Noncognate DNA

artículo científico publicado en 2018

Long-range allostery mediates cooperative adenine nucleotide binding by the Ski2-like RNA helicase Brr2

artículo científico publicado en 2021

Magnesium-dependent active-site conformational selection in the Diels-Alderase ribozyme

artículo científico publicado en 2010

Mechanism of DNA recognition by the restriction enzyme EcoRV.

artículo científico publicado en 2010

Mechanism of the Glycosidic Bond Cleavage of Mismatched Thymine in Human Thymine DNA Glycosylase Revealed by Classical Molecular Dynamics and Quantum Mechanical/Molecular Mechanical Calculations

artículo científico publicado en 2015

Modulation of a Ligand’s Energy Landscape and Kinetics by the Chemical Environment ⬇️

artículo científico publicado el 14 de noviembre de 2012

Molecular Dynamics Simulations of a Chimeric Androgen Receptor Protein (SPARKI) Confirm the Importance of the Dimerization Domain on DNA Binding Specificity

artículo científico publicado en 2020

Peroxovanadate imidazole complexes as catalysts for olefin epoxidation: density functional study of dynamics, 51V NMR chemical shifts, and mechanism

artículo científico publicado en 2004

Prediction of perturbed proton transfer networks

scientific article published in PLoS ONE

Proton transfer in the D-channel of cytochrome c oxidase modeled by a transition network approach

scientific article published on 16 April 2020

Proton transfer pathways in an aspartate-water cluster sampled by a network of discrete states

artículo científico publicado en 2016

Proton transfer pathways, energy landscape, and kinetics in creatine-water systems

artículo científico publicado en 2014

Quantifying how step-wise fluorination tunes local solute hydrophobicity, hydration shell thermodynamics and the quantum mechanical contributions of solute-water interactions

artículo científico publicado en 2020

Quantum Mechanical/Molecular Mechanical Analysis of the Catalytic Mechanism of Phosphoserine Phosphatase

artículo científico publicado en 2018

REMPI Spectroscopy of Laser Desorbed Guanosines.

artículo científico publicado en 2000

RETRACTED: Protonation State-Dependent Communication in Cytochrome c Oxidase

artículo científico publicado en 2016

RETRACTED: Protonation-State-Dependent Communication in Cytochrome c Oxidase

artículo científico publicado en 2017

Retraction Notice to: Protonation State-Dependent Communication in Cytochrome c Oxidase

artículo científico publicado en 2017

Role of AP-endonuclease (Ape1) active site residues in stabilization of the reactant enzyme-DNA complex

artículo científico publicado en 2018

Role of magnesium ions in DNA recognition by the EcoRV restriction endonuclease

scientific article published on 05 August 2011

Rovibrational corrections to transition metal NMR shielding constants

scientific article published on 01 March 2004

Sequences flanking the core-binding site modulate glucocorticoid receptor structure and activity

artículo científico publicado en 2016

Stereoselection in the Diels-Alderase ribozyme: a molecular dynamics study

artículo científico publicado en 2012

The Effect of a G:T Mispair on the Dynamics of DNA ⬇️

artículo científico publicado el 15 de enero de 2013

Lista de obras de

A Conserved Kinase-Based Body-Temperature Sensor Globally Controls Alternative Splicing and Gene Expression

AM1/d Parameters for Magnesium in Metalloenzymes

Base flip in DNA studied by molecular dynamics simulationsof differently-oxidized forms of methyl-Cytosine

Catalytic mechanism of DNA backbone cleavage by the restriction enzyme EcoRV: a quantum mechanical/molecular mechanical analysis

Catalytic transesterification of dialkyl phosphates by a bioinspired dicopper(II) macrocyclic complex

Computational Study of Absorption Spectra of the Photoconvertible Fluorescent Protein EosFP in Different Protonation States

Corrigendum: Sequences flanking the core-binding site modulate glucocorticoid receptor structure and activity

Geometry change of simple aromatics upon electronic excitation obtained from Franck-Condon fits of dispersed fluorescence spectra

Hydrogen-Bonded Network and Water Dynamics in the D-channel of Cytochrome c Oxidase.

Hydrophobic but Water-Friendly: Favorable Water-Perfluoromethyl Interactions Promote Hydration Shell Defects

In Silico Study of Camptothecin-Based Pro-Drugs Binding to Human Carboxylesterase 2

Increasing cleavage specificity and activity of restriction endonuclease KpnI.

Interactions of the DNA Repair Enzyme Human Thymine DNA Glycosylase with Cognate and Noncognate DNA

Long-range allostery mediates cooperative adenine nucleotide binding by the Ski2-like RNA helicase Brr2

Magnesium-dependent active-site conformational selection in the Diels-Alderase ribozyme

Mechanism of DNA recognition by the restriction enzyme EcoRV.

Mechanism of the Glycosidic Bond Cleavage of Mismatched Thymine in Human Thymine DNA Glycosylase Revealed by Classical Molecular Dynamics and Quantum Mechanical/Molecular Mechanical Calculations

Modulation of a Ligand’s Energy Landscape and Kinetics by the Chemical Environment ⬇️

Molecular Dynamics Simulations of a Chimeric Androgen Receptor Protein (SPARKI) Confirm the Importance of the Dimerization Domain on DNA Binding Specificity

Peroxovanadate imidazole complexes as catalysts for olefin epoxidation: density functional study of dynamics, 51V NMR chemical shifts, and mechanism

Prediction of perturbed proton transfer networks

Proton transfer in the D-channel of cytochrome c oxidase modeled by a transition network approach

Proton transfer pathways in an aspartate-water cluster sampled by a network of discrete states

Proton transfer pathways, energy landscape, and kinetics in creatine-water systems

Quantifying how step-wise fluorination tunes local solute hydrophobicity, hydration shell thermodynamics and the quantum mechanical contributions of solute-water interactions

Quantum Mechanical/Molecular Mechanical Analysis of the Catalytic Mechanism of Phosphoserine Phosphatase

REMPI Spectroscopy of Laser Desorbed Guanosines.

RETRACTED: Protonation State-Dependent Communication in Cytochrome c Oxidase

RETRACTED: Protonation-State-Dependent Communication in Cytochrome c Oxidase

Retraction Notice to: Protonation State-Dependent Communication in Cytochrome c Oxidase

Role of AP-endonuclease (Ape1) active site residues in stabilization of the reactant enzyme-DNA complex

Role of magnesium ions in DNA recognition by the EcoRV restriction endonuclease

Rovibrational corrections to transition metal NMR shielding constants

Sequences flanking the core-binding site modulate glucocorticoid receptor structure and activity

Stereoselection in the Diels-Alderase ribozyme: a molecular dynamics study

The Effect of a G:T Mispair on the Dynamics of DNA ⬇️