Lista de obras - Vladimir Pelmenschikov - Dominio Público Uruguay

A mechanism from quantum chemical studies for methane formation in methanogenesis

artículo científico publicado en 2002

A theoretical study of the mechanism for peptide hydrolysis by thermolysin

artículo científico publicado en 2002

Asymmetry in the Ligand Coordination Sphere of the [FeFe] Hydrogenase Active Site Is Reflected in the Magnetic Spin Interactions of the Aza-propanedithiolate Ligand

scientific article published on 21 October 2019

Catalysis by methyl-coenzyme M reductase: a theoretical study for heterodisulfide product formation

artículo científico publicado en 2003

Characterization of [4Fe-4S] cluster vibrations and structure in nitrogenase Fe protein at three oxidation levels via combined NRVS, EXAFS, and DFT analyses

artículo científico publicado en 2013

Characterization of the Fe site in iron-sulfur cluster-free hydrogenase (Hmd) and of a model compound via nuclear resonance vibrational spectroscopy (NRVS).

artículo científico publicado en 2008

Characterization of the [3Fe-4S](0/1+) cluster from the D14C variant of Pyrococcus furiosus ferredoxin via combined NRVS and DFT analyses.

artículo científico publicado en 2016

Class I ribonucleotide reductase revisited: the effect of removing a proton on Glu441.

artículo científico publicado en 2004

Copper-zinc superoxide dismutase: theoretical insights into the catalytic mechanism

artículo científico publicado en 2005

Direct Observation of an Iron-Bound Terminal Hydride in [FeFe]-Hydrogenase by Nuclear Resonance Vibrational Spectroscopy.

artículo científico publicado en 2017

Docking and migration of carbon monoxide in nitrogenase: the case for gated pockets from infrared spectroscopy and molecular dynamics

artículo científico publicado en 2015

Dynamics of the [4Fe-4S] cluster in Pyrococcus furiosus D14C ferredoxin via nuclear resonance vibrational and resonance Raman spectroscopies, force field simulations, and density functional theory calculations.

artículo científico publicado en 2011

Fe-H/D stretching and bending modes in nuclear resonant vibrational, Raman and infrared spectroscopies: comparisons of density functional theory and experiment

artículo científico publicado en 2011

High-Frequency Fe-H Vibrations in a Bridging Hydride Complex Characterized by NRVS and DFT

artículo científico publicado en 2018

High-Frequency Fe-H and Fe-H2 Modes in a trans-Fe(η2-H2)(H) Complex: A Speed Record for Nuclear Resonance Vibrational Spectroscopy

artículo científico publicado en 2020

Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

artículo científico publicado en 2015

IR-monitored photolysis of CO-inhibited nitrogenase: a major EPR-silent species with coupled terminal CO ligands

artículo científico publicado en 2012

Insights from 125Te and 57Fe nuclear resonance vibrational spectroscopy: a [4Fe-4Te] cluster from two points of view

scientific article published on 24 June 2019

Is there a Ni-methyl intermediate in the mechanism of methyl-coenzyme M reductase?

artículo científico publicado en 2009

Ligand-bound S = 1/2 FeMo-cofactor of nitrogenase: hyperfine interaction analysis and implication for the central ligand X identity

artículo científico publicado en 2008

Low frequency dynamics of the nitrogenase MoFe protein via femtosecond pump probe spectroscopy - Observation of a candidate promoting vibration

artículo científico publicado en 2015

Nickel superoxide dismutase reaction mechanism studied by hybrid density functional methods.

artículo científico publicado en 2006

Reaction Coordinate Leading to H2 Production in [FeFe]-Hydrogenase Identified by Nuclear Resonance Vibrational Spectroscopy and Density Functional Theory

artículo científico publicado en 2017

Redox-dependent structural transformations of the [4Fe-3S] proximal cluster in O2-tolerant membrane-bound [NiFe]-hydrogenase: a DFT study

artículo científico publicado en 2013

Resonance Raman Spectroscopic Analysis of the [NiFe] Active Site and the Proximal [4Fe-3S] Cluster of an O2-Tolerant Membrane-Bound Hydrogenase in the Crystalline State

article

Reversible [4Fe-3S] cluster morphing in an O(2)-tolerant [NiFe] hydrogenase

artículo científico publicado en 2014

Spectroscopic and Computational Evidence that [FeFe] Hydrogenases Operate Exclusively with CO-Bridged Intermediates

scientific article published on 30 December 2019

Sterically Stabilized Terminal Hydride of a Diiron Dithiolate.

artículo científico publicado en 2018

Structural characterization of CO-inhibited Mo-nitrogenase by combined application of nuclear resonance vibrational spectroscopy, extended X-ray absorption fine structure, and density functional theory: new insights into the effects of CO binding an

artículo científico publicado en 2014

Synthesis and vibrational spectroscopy of (57)Fe-labeled models of [NiFe] hydrogenase: first direct observation of a nickel-iron interaction

artículo científico publicado en 2014

Terminal Hydride Species in [FeFe]-Hydrogenases Are Vibrationally Coupled to the Active Site Environment

artículo científico publicado en 2018

Terminal Hydride Species in [FeFe]‐Hydrogenases Are Vibrationally Coupled to the Active Site Environment

artículo científico publicado en 2018

Testing if the interstitial atom, X, of the nitrogenase molybdenum-iron cofactor is N or C: ENDOR, ESEEM, and DFT studies of the S = 3/2 resting state in multiple environments

artículo científico publicado en 2007

The HydG enzyme generates an Fe(CO)2(CN) synthon in assembly of the FeFe hydrogenase H-cluster.

artículo científico publicado en 2014

The Mössbauer Parameters of the Proximal Cluster of Membrane-Bound Hydrogenase Revisited: A Density Functional Theory Study

artículo científico publicado en 2015

Lista de obras de Vladimir Pelmenschikov

A mechanism from quantum chemical studies for methane formation in methanogenesis

A theoretical study of the mechanism for peptide hydrolysis by thermolysin

Asymmetry in the Ligand Coordination Sphere of the [FeFe] Hydrogenase Active Site Is Reflected in the Magnetic Spin Interactions of the Aza-propanedithiolate Ligand

Catalysis by methyl-coenzyme M reductase: a theoretical study for heterodisulfide product formation

Characterization of [4Fe-4S] cluster vibrations and structure in nitrogenase Fe protein at three oxidation levels via combined NRVS, EXAFS, and DFT analyses

Characterization of the Fe site in iron-sulfur cluster-free hydrogenase (Hmd) and of a model compound via nuclear resonance vibrational spectroscopy (NRVS).

Characterization of the [3Fe-4S](0/1+) cluster from the D14C variant of Pyrococcus furiosus ferredoxin via combined NRVS and DFT analyses.

Class I ribonucleotide reductase revisited: the effect of removing a proton on Glu441.

Copper-zinc superoxide dismutase: theoretical insights into the catalytic mechanism

Direct Observation of an Iron-Bound Terminal Hydride in [FeFe]-Hydrogenase by Nuclear Resonance Vibrational Spectroscopy.

Docking and migration of carbon monoxide in nitrogenase: the case for gated pockets from infrared spectroscopy and molecular dynamics

Dynamics of the [4Fe-4S] cluster in Pyrococcus furiosus D14C ferredoxin via nuclear resonance vibrational and resonance Raman spectroscopies, force field simulations, and density functional theory calculations.

Fe-H/D stretching and bending modes in nuclear resonant vibrational, Raman and infrared spectroscopies: comparisons of density functional theory and experiment

High-Frequency Fe-H Vibrations in a Bridging Hydride Complex Characterized by NRVS and DFT

High-Frequency Fe-H and Fe-H<sub>2</sub> Modes in a <i>trans</i>-Fe(η<sup>2</sup>-H<sub>2</sub>)(H) Complex: A Speed Record for Nuclear Resonance Vibrational Spectroscopy

Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

IR-monitored photolysis of CO-inhibited nitrogenase: a major EPR-silent species with coupled terminal CO ligands

Insights from 125Te and 57Fe nuclear resonance vibrational spectroscopy: a [4Fe-4Te] cluster from two points of view

Is there a Ni-methyl intermediate in the mechanism of methyl-coenzyme M reductase?

Ligand-bound S = 1/2 FeMo-cofactor of nitrogenase: hyperfine interaction analysis and implication for the central ligand X identity

Low frequency dynamics of the nitrogenase MoFe protein via femtosecond pump probe spectroscopy - Observation of a candidate promoting vibration

Nickel superoxide dismutase reaction mechanism studied by hybrid density functional methods.

Reaction Coordinate Leading to H2 Production in [FeFe]-Hydrogenase Identified by Nuclear Resonance Vibrational Spectroscopy and Density Functional Theory

Redox-dependent structural transformations of the [4Fe-3S] proximal cluster in O2-tolerant membrane-bound [NiFe]-hydrogenase: a DFT study

Resonance Raman Spectroscopic Analysis of the [NiFe] Active Site and the Proximal [4Fe-3S] Cluster of an O2-Tolerant Membrane-Bound Hydrogenase in the Crystalline State

Reversible [4Fe-3S] cluster morphing in an O(2)-tolerant [NiFe] hydrogenase

Spectroscopic and Computational Evidence that [FeFe] Hydrogenases Operate Exclusively with CO-Bridged Intermediates

Sterically Stabilized Terminal Hydride of a Diiron Dithiolate.

Structural characterization of CO-inhibited Mo-nitrogenase by combined application of nuclear resonance vibrational spectroscopy, extended X-ray absorption fine structure, and density functional theory: new insights into the effects of CO binding an

Synthesis and vibrational spectroscopy of (57)Fe-labeled models of [NiFe] hydrogenase: first direct observation of a nickel-iron interaction

Terminal Hydride Species in [FeFe]-Hydrogenases Are Vibrationally Coupled to the Active Site Environment

Terminal Hydride Species in [FeFe]‐Hydrogenases Are Vibrationally Coupled to the Active Site Environment

Testing if the interstitial atom, X, of the nitrogenase molybdenum-iron cofactor is N or C: ENDOR, ESEEM, and DFT studies of the S = 3/2 resting state in multiple environments

The HydG enzyme generates an Fe(CO)2(CN) synthon in assembly of the FeFe hydrogenase H-cluster.

The Mössbauer Parameters of the Proximal Cluster of Membrane-Bound Hydrogenase Revisited: A Density Functional Theory Study