Lista de obras - Maria G Khrenova - Dominio Público Uruguay

A Light-Induced Reaction with Oxygen Leads to Chromophore Decomposition and Irreversible Photobleaching in GFP-Type Proteins.

artículo científico publicado en 2015

All-atom structures and calcium binding sites of the bacterial photosynthetic LH1-RC core complex from Thermochromatium tepidum.

artículo científico publicado en 2014

Allosteric Control of N-Acetyl-Aspartate Hydrolysis by the Y231C and F295S Mutants of Human Aspartoacylase

artículo científico publicado en 2018

Computational Challenges in Modeling of Representative Bioimaging Proteins: GFP-Like Proteins, Flavoproteins, and Phytochromes

scientific article published on 10 May 2019

Computational characterization of ketone-ketal transformations at the active site of matrix metalloproteinases.

artículo científico publicado en 2014

Computational characterization of reaction intermediates in the photocycle of the sensory domain of the AppA blue light photoreceptor.

artículo científico publicado en 2010

Computational characterization of the chemical step in the GTP hydrolysis by Ras-GAP for the wild-type and G13V mutated Ras

artículo científico publicado en 2015

Detection of protease activity by fluorescent protein FRET sensors: from computer simulation to live cells.

artículo científico publicado en 2017

Dipole Moment Variation Clears Up Electronic Excitations in the π-Stacked Complexes of Fluorescent Protein Chromophores

artículo científico publicado en 2020

Dynamical properties of enzyme-substrate complexes disclose substrate specificity of the SARS-CoV-2 main protease as characterized by the electron density descriptors

scientific article published on 19 August 2020

Effect of protein environment on electronically excited and ionized states of the green fluorescent protein chromophore.

artículo científico publicado en 2011

Estimating orientation factors in the FRET theory of fluorescent proteins: the TagRFP-KFP pair and beyond

artículo científico publicado en 2015

Exploration of the zinc finger motif in controlling activity of matrix metalloproteinases.

artículo científico publicado en 2014

FLIM-FRET Imaging of Caspase-3 Activity in Live Cells Using Pair of Red Fluorescent Proteins.

artículo científico publicado en 2012

Genetically Encoded FRET-Sensor Based on Terbium Chelate and Red Fluorescent Protein for Detection of Caspase-3 Activity.

artículo científico publicado en 2015

Hydrolysis of Guanosine Triphosphate (GTP) by the Ras·GAP Protein Complex: Reaction Mechanism and Kinetic Scheme.

artículo científico publicado en 2015

Improving the Design of the Triple-Decker Motif in Red Fluorescent Proteins.

artículo científico publicado en 2017

Mechanism of proteolysis in matrix metalloproteinase-2 revealed by QM/MM modeling

artículo científico publicado en 2015

Methodological aspects of QM/MM calculations: A case study on matrix metalloproteinase-2

artículo científico publicado en 2016

Modeling reaction routes from rhodopsin to bathorhodopsin

artículo científico publicado en 2010

Modeling the Complete Catalytic Cycle of Aspartoacylase.

artículo científico publicado en 2016

Modeling the Transient Kinetics of the L1 Metallo-β-Lactamase.

artículo científico publicado en 2018

Modeling the role of G12V and G13V Ras mutations in the Ras-GAP-catalyzed hydrolysis reaction of guanosine triphosphate

artículo científico publicado en 2014

Mutants of the Flavoprotein iLOV as Prospective Red-Shifted Fluorescent Markers

artículo científico publicado en 2017

Novel flavin-based fluorescent proteins with red-shifted emission bands: a computational study

scientific article published on 07 November 2018

Photoinduced electron transfer facilitates tautomerization of the conserved signaling glutamine side chain in BLUF protein light sensors.

artículo científico publicado en 2013

Proof of concept for poor inhibitor binding and efficient formation of covalent adducts of KRASG12C and ARS compounds

artículo científico publicado en 2020

Quantum Chemistry Calculations Provide Support to the Mechanism of the Light-Induced Structural Changes in the Flavin-Binding Photoreceptor Proteins

artículo científico publicado en 2010

Reaction Mechanism of Guanosine Triphosphate Hydrolysis by the Vision-Related Protein Complex Arl3-RP2.

artículo científico publicado en 2016

Testing the ability of rhodanine and 2, 4-thiazolidinedione to interact with the human pancreatic alpha-amylase: electron-density descriptors complement molecular docking, QM, and QM/MM dynamics calculations.

artículo científico publicado en 2017

The explicit role of electron exchange in the hydrogen bonded molecular complexes

artículo científico publicado en 2021

Theoretical Characterization of the Flavin-Based Fluorescent Protein iLOV and its Q489K Mutant.

artículo científico publicado en 2015

Theoretical vibrational spectroscopy of intermediates and the reaction mechanism of the guanosine triphosphate hydrolysis by the protein complex Ras-GAP.

artículo científico publicado en 2016

Thermal isomerization of the chromoprotein asFP595 and its kindling mutant A143G: QM/MM molecular dynamics simulations.

artículo científico publicado en 2013

Three Faces of N-Acetylaspartate: Activator, Substrate, and Inhibitor of Human Aspartoacylase

artículo científico publicado en 2017

Why does mutation of Gln61 in Ras by the nitro analog NGln maintain activity of Ras-GAP in hydrolysis of guanosine triphosphate?

scientific article published on 29 September 2015

Lista de obras de Maria G Khrenova

A Light-Induced Reaction with Oxygen Leads to Chromophore Decomposition and Irreversible Photobleaching in GFP-Type Proteins.

All-atom structures and calcium binding sites of the bacterial photosynthetic LH1-RC core complex from Thermochromatium tepidum.

Allosteric Control of N-Acetyl-Aspartate Hydrolysis by the Y231C and F295S Mutants of Human Aspartoacylase

Computational Challenges in Modeling of Representative Bioimaging Proteins: GFP-Like Proteins, Flavoproteins, and Phytochromes

Computational characterization of ketone-ketal transformations at the active site of matrix metalloproteinases.

Computational characterization of reaction intermediates in the photocycle of the sensory domain of the AppA blue light photoreceptor.

Computational characterization of the chemical step in the GTP hydrolysis by Ras-GAP for the wild-type and G13V mutated Ras

Detection of protease activity by fluorescent protein FRET sensors: from computer simulation to live cells.

Dipole Moment Variation Clears Up Electronic Excitations in the π-Stacked Complexes of Fluorescent Protein Chromophores

Dynamical properties of enzyme-substrate complexes disclose substrate specificity of the SARS-CoV-2 main protease as characterized by the electron density descriptors

Effect of protein environment on electronically excited and ionized states of the green fluorescent protein chromophore.

Estimating orientation factors in the FRET theory of fluorescent proteins: the TagRFP-KFP pair and beyond

Exploration of the zinc finger motif in controlling activity of matrix metalloproteinases.

FLIM-FRET Imaging of Caspase-3 Activity in Live Cells Using Pair of Red Fluorescent Proteins.

Genetically Encoded FRET-Sensor Based on Terbium Chelate and Red Fluorescent Protein for Detection of Caspase-3 Activity.

Hydrolysis of Guanosine Triphosphate (GTP) by the Ras·GAP Protein Complex: Reaction Mechanism and Kinetic Scheme.

Improving the Design of the Triple-Decker Motif in Red Fluorescent Proteins.

Mechanism of proteolysis in matrix metalloproteinase-2 revealed by QM/MM modeling

Methodological aspects of QM/MM calculations: A case study on matrix metalloproteinase-2

Modeling reaction routes from rhodopsin to bathorhodopsin

Modeling the Complete Catalytic Cycle of Aspartoacylase.

Modeling the Transient Kinetics of the L1 Metallo-β-Lactamase.

Modeling the role of G12V and G13V Ras mutations in the Ras-GAP-catalyzed hydrolysis reaction of guanosine triphosphate

Mutants of the Flavoprotein iLOV as Prospective Red-Shifted Fluorescent Markers

Novel flavin-based fluorescent proteins with red-shifted emission bands: a computational study

Photoinduced electron transfer facilitates tautomerization of the conserved signaling glutamine side chain in BLUF protein light sensors.

Proof of concept for poor inhibitor binding and efficient formation of covalent adducts of KRASG12C and ARS compounds

Quantum Chemistry Calculations Provide Support to the Mechanism of the Light-Induced Structural Changes in the Flavin-Binding Photoreceptor Proteins

Reaction Mechanism of Guanosine Triphosphate Hydrolysis by the Vision-Related Protein Complex Arl3-RP2.

Testing the ability of rhodanine and 2, 4-thiazolidinedione to interact with the human pancreatic alpha-amylase: electron-density descriptors complement molecular docking, QM, and QM/MM dynamics calculations.

The explicit role of electron exchange in the hydrogen bonded molecular complexes

Theoretical Characterization of the Flavin-Based Fluorescent Protein iLOV and its Q489K Mutant.

Theoretical vibrational spectroscopy of intermediates and the reaction mechanism of the guanosine triphosphate hydrolysis by the protein complex Ras-GAP.

Thermal isomerization of the chromoprotein asFP595 and its kindling mutant A143G: QM/MM molecular dynamics simulations.

Three Faces of N-Acetylaspartate: Activator, Substrate, and Inhibitor of Human Aspartoacylase

Why does mutation of Gln61 in Ras by the nitro analog NGln maintain activity of Ras-GAP in hydrolysis of guanosine triphosphate?