Lista de obras - Danilo Roccatano - Dominio Público Uruguay

A 10-A spectroscopic ruler applied to short polyprolines

artículo científico publicado en 2007

A potential antitumor drug (arginine deiminase) reengineered for efficient operation under physiological conditions

artículo científico publicado en 2010

A statistical analysis of random mutagenesis methods used for directed protein evolution.

artículo científico publicado en 2005

Adsorption mechanism of an antimicrobial peptide on carbonaceous surfaces: A molecular dynamics study

artículo científico publicado en 2017

Are transversion mutations better? A Mutagenesis Assistant Program analysis on P450 BM-3 heme domain.

artículo científico publicado en 2007

Beta-hairpin conformation of fibrillogenic peptides: structure and alpha-beta transition mechanism revealed by molecular dynamics simulations

artículo científico publicado en 2004

Computational study of the catalytic domain of human neutrophil collagenase. specific role of the S3 and S'3 subsites in the interaction with a phosphonate inhibitor.

artículo científico publicado en 2002

Computer simulations study of biomolecules in non-aqueous or cosolvent/water mixture solutions.

scientific article published on August 2008

Conformational Dynamics of the FMN-Binding Reductase Domain of Monooxygenase P450BM-3.

artículo científico publicado en 2012

Conformational and Electronic Properties of a Microperoxidase in Aqueous Solution: A Computational Study

artículo científico publicado en 2005

Conformational dynamics of active site loop in Escherichia coli phytase.

artículo científico publicado en 2010

Diffusion of 1,2-Dimethoxyethane and 1,2-Dimethoxypropane through Phosphatidycholine Bilayers: A Molecular Dynamics Study

article

Directed evolution of an antitumor drug (arginine deiminase PpADI) for increased activity at physiological pH.

artículo científico publicado en 2010

Directed evolution of subtilisin E into a highly active and guanidinium chloride- and sodium dodecylsulfate-tolerant protease

scholarly article by Zhenwei Li published in March 2012

Distance distributions of short polypeptides recovered by fluorescence resonance energy transfer in the 10 A domain

artículo científico publicado en 2006

Docking of flexible ligands to flexible receptors in solution by molecular dynamics simulation

artículo científico publicado en 1999

Dynamical aspects of TEM-1 beta-lactamase probed by molecular dynamics

artículo científico publicado en 2005

Effect of hexafluoroisopropanol alcohol on the structure of melittin: a molecular dynamics simulation study

artículo científico publicado en 2005

Extended molecular dynamics simulation of the carbon monoxide migration in sperm whale myoglobin

artículo científico publicado en 2004

Free Energy Profile of Domain Movement in Ligand-Free Citrate Synthase

artículo científico publicado en 2019

Functionalized nanocompartments (synthosomes) with a reduction-triggered release system

artículo científico publicado en 2008

Hybrid Particle-Field Coarse-Grained Models for Biological Phospholipids

article

Insight into the redox partner interaction mechanism in cytochrome P450BM-3 using molecular dynamics simulations

artículo científico publicado en 2014

Insights on activity and stability of subtilisin E towards guanidinium chloride and sodium dodecylsulfate

artículo científico publicado en 2013

Interaction of Curcumin with PEO–PPO–PEO Block Copolymers: A Molecular Dynamics Study

article

Interplay between hydrophobic cluster and loop propensity in beta-hairpin formation: a mechanistic study

artículo científico publicado en 2003

Investigating the accessibility of the closed domain conformation of citrate synthase using essential dynamics sampling.

artículo científico publicado en 2004

Investigation of the mechanism of domain closure in citrate synthase by molecular dynamics simulation

artículo científico publicado en 2001

Laboratory evolution of P450 BM3 for mediated electron transfer yielding an activity-improved and reductase-independent variant

artículo científico publicado en 2007

MAP(2.0)3D: a sequence/structure based server for protein engineering

artículo científico publicado en 2012

Micellar drug nanocarriers and biomembranes: how do they interact?

artículo científico publicado en 2014

Modular assembly of proteins on nanoparticles.

artículo científico publicado en 2018

Molecular Dynamics Simulation Study of Chlorophyll a in Different Organic Solvents

artículo científico publicado en 2011

Molecular Dynamics Simulation of Water Near Nanostructured Hydrophobic Surfaces: Interfacial Energies

article

Molecular dynamics simulation of the docking of substrates to proteins

artículo científico publicado en 1994

Molecular dynamics simulation of the interaction between the complex iron-sulfur flavoprotein glutamate synthase and its substrates.

artículo científico publicado en 2004

Molecular dynamics simulation study of solvent effects on conformation and dynamics of polyethylene oxide and polypropylene oxide chains in water and in common organic solvents.

artículo científico publicado en 2012

P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation

artículo científico publicado en 2013

Sensitive assay for laboratory evolution of hydroxylases toward aromatic and heterocyclic compounds.

artículo científico publicado en 2005

Steering directed protein evolution: strategies to manage combinatorial complexity of mutant libraries

artículo científico publicado en 2007

Structural and Dynamic Properties of the CAGQW Peptide in Water: A Molecular Dynamics Simulation Study Using Different Force Fields

article

Structural and dynamic properties of cytochrome P450 BM-3 in pure water and in a dimethylsulfoxide/water mixture

artículo científico publicado en 2005

Structural flexibility of the nucleosome core particle at atomic resolution studied by molecular dynamics simulation

artículo científico publicado en 2007

Structure and Dynamics of Dodecaborate Clusters in Water

article

Structure and dynamics of 1,2-dimethoxyethane and 1,2-dimethoxypropane in aqueous and non-aqueous solutions: A molecular dynamics study

article

Study of structural and dynamic properties of liquid phenyltrimethoxysilane

artículo científico publicado en 2011

Synthetic Polymers and Biomembranes. How Do They Interact?: Atomistic Molecular Dynamics Simulation Study of PEO in Contact with a DMPC Lipid Bilayer

article

Temperature dependence of looping rates in a short peptide

artículo científico publicado en 2007

Temperature effects on structure and dynamics of the psychrophilic protease subtilisin S41 and its thermostable mutants in solution

article

The role of active-site Phe87 in modulating the organic co-solvent tolerance of cytochrome P450 BM3 monooxygenase

artículo científico publicado en 2012

Theoretical study of binding and permeation of ether-based polymers through interfaces.

artículo científico publicado en 2013

Toward understanding the inactivation mechanism of monooxygenase P450 BM-3 by organic cosolvents: a molecular dynamics simulation study

artículo científico publicado en 2006

Transversion-enriched sequence saturation mutagenesis (SeSaM-Tv+): a random mutagenesis method with consecutive nucleotide exchanges that complements the bias of error-prone PCR.

artículo científico publicado en 2008

Understanding a mechanism of organic cosolvent inactivation in heme monooxygenase P450 BM-3

artículo científico publicado en 2007

Understanding the Interaction of Block Copolymers with DMPC Lipid Bilayer Using Coarse-Grained Molecular Dynamics Simulations

article

Lista de obras de Danilo Roccatano

A 10-A spectroscopic ruler applied to short polyprolines

A potential antitumor drug (arginine deiminase) reengineered for efficient operation under physiological conditions

A statistical analysis of random mutagenesis methods used for directed protein evolution.

Adsorption mechanism of an antimicrobial peptide on carbonaceous surfaces: A molecular dynamics study

Are transversion mutations better? A Mutagenesis Assistant Program analysis on P450 BM-3 heme domain.

Beta-hairpin conformation of fibrillogenic peptides: structure and alpha-beta transition mechanism revealed by molecular dynamics simulations

Computational study of the catalytic domain of human neutrophil collagenase. specific role of the S3 and S'3 subsites in the interaction with a phosphonate inhibitor.

Computer simulations study of biomolecules in non-aqueous or cosolvent/water mixture solutions.

Conformational Dynamics of the FMN-Binding Reductase Domain of Monooxygenase P450BM-3.

Conformational and Electronic Properties of a Microperoxidase in Aqueous Solution: A Computational Study

Conformational dynamics of active site loop in Escherichia coli phytase.

Diffusion of 1,2-Dimethoxyethane and 1,2-Dimethoxypropane through Phosphatidycholine Bilayers: A Molecular Dynamics Study

Directed evolution of an antitumor drug (arginine deiminase PpADI) for increased activity at physiological pH.

Directed evolution of subtilisin E into a highly active and guanidinium chloride- and sodium dodecylsulfate-tolerant protease

Distance distributions of short polypeptides recovered by fluorescence resonance energy transfer in the 10 A domain

Docking of flexible ligands to flexible receptors in solution by molecular dynamics simulation

Dynamical aspects of TEM-1 beta-lactamase probed by molecular dynamics

Effect of hexafluoroisopropanol alcohol on the structure of melittin: a molecular dynamics simulation study

Extended molecular dynamics simulation of the carbon monoxide migration in sperm whale myoglobin

Free Energy Profile of Domain Movement in Ligand-Free Citrate Synthase

Functionalized nanocompartments (synthosomes) with a reduction-triggered release system

Hybrid Particle-Field Coarse-Grained Models for Biological Phospholipids

Insight into the redox partner interaction mechanism in cytochrome P450BM-3 using molecular dynamics simulations

Insights on activity and stability of subtilisin E towards guanidinium chloride and sodium dodecylsulfate

Interaction of Curcumin with PEO–PPO–PEO Block Copolymers: A Molecular Dynamics Study

Interplay between hydrophobic cluster and loop propensity in beta-hairpin formation: a mechanistic study

Investigating the accessibility of the closed domain conformation of citrate synthase using essential dynamics sampling.

Investigation of the mechanism of domain closure in citrate synthase by molecular dynamics simulation

Laboratory evolution of P450 BM3 for mediated electron transfer yielding an activity-improved and reductase-independent variant

MAP(2.0)3D: a sequence/structure based server for protein engineering

Micellar drug nanocarriers and biomembranes: how do they interact?

Modular assembly of proteins on nanoparticles.

Molecular Dynamics Simulation Study of Chlorophyll a in Different Organic Solvents

Molecular Dynamics Simulation of Water Near Nanostructured Hydrophobic Surfaces: Interfacial Energies

Molecular dynamics simulation of the docking of substrates to proteins

Molecular dynamics simulation of the interaction between the complex iron-sulfur flavoprotein glutamate synthase and its substrates.

Molecular dynamics simulation study of solvent effects on conformation and dynamics of polyethylene oxide and polypropylene oxide chains in water and in common organic solvents.

P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation

Sensitive assay for laboratory evolution of hydroxylases toward aromatic and heterocyclic compounds.

Steering directed protein evolution: strategies to manage combinatorial complexity of mutant libraries

Structural and Dynamic Properties of the CAGQW Peptide in Water: A Molecular Dynamics Simulation Study Using Different Force Fields

Structural and dynamic properties of cytochrome P450 BM-3 in pure water and in a dimethylsulfoxide/water mixture

Structural flexibility of the nucleosome core particle at atomic resolution studied by molecular dynamics simulation

Structure and Dynamics of Dodecaborate Clusters in Water

Structure and dynamics of 1,2-dimethoxyethane and 1,2-dimethoxypropane in aqueous and non-aqueous solutions: A molecular dynamics study

Study of structural and dynamic properties of liquid phenyltrimethoxysilane

Synthetic Polymers and Biomembranes. How Do They Interact?: Atomistic Molecular Dynamics Simulation Study of PEO in Contact with a DMPC Lipid Bilayer

Temperature dependence of looping rates in a short peptide

Temperature effects on structure and dynamics of the psychrophilic protease subtilisin S41 and its thermostable mutants in solution

The role of active-site Phe87 in modulating the organic co-solvent tolerance of cytochrome P450 BM3 monooxygenase

Theoretical study of binding and permeation of ether-based polymers through interfaces.

Toward understanding the inactivation mechanism of monooxygenase P450 BM-3 by organic cosolvents: a molecular dynamics simulation study

Transversion-enriched sequence saturation mutagenesis (SeSaM-Tv+): a random mutagenesis method with consecutive nucleotide exchanges that complements the bias of error-prone PCR.

Understanding a mechanism of organic cosolvent inactivation in heme monooxygenase P450 BM-3

Understanding the Interaction of Block Copolymers with DMPC Lipid Bilayer Using Coarse-Grained Molecular Dynamics Simulations