Vladimir Pelmenschikov

发表

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

M. Adams, S. Kamali, S. Cramer, 2016, Dalton transactions.

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

D. Case, S. Shima, R. Thauer, 2008, Inorganic chemistry.

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

M. Blomberg, Shi‐Lu Chen, P. Siegbahn, 2009, Journal of the American Chemical Society.

The HydG Enzyme Generates an Fe(CO)2(CN) Synthon in Assembly of the FeFe Hydrogenase H-Cluster

W. Myers, R. D. Britt, J. Swartz, 2014, Science.

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

M. Kaupp, Vladimir Pelmenschikov, 2013, Journal of the American Chemical Society.

Exploring Structure and Function of Redox Intermediates in [NiFe]‐Hydrogenases by an Advanced Experimental Approach for Solvated, Lyophilized and Crystallized Metalloenzymes

K. Tamasaku, S. Frielingsdorf, O. Lenz, 2021, Angewandte Chemie.

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

K. Tamasaku, P. King, David W. Mulder, 2018, Angewandte Chemie.

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

K. Tamasaku, P. King, David W. Mulder, 2018, Angewandte Chemie.

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

I. Delfino, C. Manzoni, G. Cerullo, 2015, Journal of inorganic biochemistry.

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.

D. Case, L. Seefeldt, B. Hoffman, 2007, Inorganic chemistry.

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

Lifen Yan, S. Cramer, W. Newton, 2012, Chemistry.

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

J. W. Peters, D. Case, S. Kamali, 2013, Journal of the American Chemical Society.

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

P. Holland, S. Cramer, K. Skubi, 2018, Angewandte Chemie.

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

P. Holland, S. Cramer, K. Skubi, 2018, Angewandte Chemie.

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

A. Schmidt, S. Frielingsdorf, O. Lenz, 2014, Nature chemical biology.

Vibrational characterization of a diiron bridging hydride complex – a model for hydrogen catalysis

K. Tamasaku, M. Chiang, S. Cramer, 2020, Chemical science.

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

M. Chiang, S. Cramer, Y. Yoda, 2020, Inorganic chemistry.

A theoretical study of the mechanism for peptide hydrolysis by thermolysin

M. Blomberg, P. Siegbahn, Vladimir Pelmenschikov, 2002, JBIC Journal of Biological Inorganic Chemistry.

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

D. Case, S. Cramer, Hongxin Wang, 2011, Faraday discussions.

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.

D. Case, T. Ichiye, M. Adams, 2011, Biochemistry.

Sterically Stabilized Terminal Hydride of a Diiron Dithiolate.

Danielle L. Gray, T. Rauchfuss, S. Cramer, 2018, Inorganic chemistry.

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

F. Meier, T. Rauchfuss, M. Kaupp, 2014, Chemical communications.

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 and the Role of the Interstitial Atom

Lifen Yan, S. George, S. Cramer, 2014, Journal of the American Chemical Society.

Pico-meter resolution structure of the coordination sphere in the metal-binding site in a metalloprotein by NMR.

I. Felli, R. Pierattelli, M. Kaupp, 2020, Journal of the American Chemical Society.

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

P. Siegbahn, Vladimir Pelmenschikov, 2003, JBIC Journal of Biological Inorganic Chemistry.

A mechanism from quantum chemical studies for methane formation in methanogenesis.

M. Blomberg, P. Siegbahn, R. Crabtree, 2002, Journal of the American Chemical Society.

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

K. Tamasaku, W. Lubitz, T. Rauchfuss, 2017, Journal of the American Chemical Society.

Electronic Structure, Bonding, Spin Coupling, and Energetics of Polynuclear Iron–Sulfur Clusters – A Broken Symmetry Density Functional Theory Perspective

Louis Noodleman, Wen-Ge Han Du, Vladimir Pelmenschikov, 2015 .

Vibrational Perturbation of the [FeFe] Hydrogenase H-Cluster Revealed by 13C2H-ADT Labeling.

K. Tamasaku, W. Lubitz, T. Rauchfuss, 2021, Journal of the American Chemical Society.

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

K. Tamasaku, W. Lubitz, T. Rauchfuss, 2017, Journal of the American Chemical Society.

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

W. Lubitz, T. Rauchfuss, M. Kaupp, 2019, The journal of physical chemistry letters.

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

K. Tamasaku, W. Lubitz, T. Rauchfuss, 2019, Journal of the American Chemical Society.

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

F. Neese, W. Lubitz, H. Ogata, 2015, Nature Communications.

Hydroxy-bridged resting states of a [NiFe]-hydrogenase unraveled by cryogenic vibrational spectroscopy and DFT computations

K. Tamasaku, O. Lenz, P. Hildebrandt, 2020, Chemical science.

Dynamics of the [ 4 Fe-4 S ] Cluster in Pyrococcus furiosus D 14 C Ferredoxin via Nuclear Resonance Vibrational and Resonance Raman Spectroscopies , Force Field Simulations , and Density Functional Theory Calculations

D. Case, T. Ichiye, M. Adams, 2011 .

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

A. Stuchebrukhov, S. Cramer, I. Leontyev, 2015, Biochemistry.

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

Per E. M. Siegbahn, Vladimir Pelmenschikov, Kyung-Bin Cho, 2004, J. Comput. Chem..

Catalytic mechanism of matrix metalloproteinases: two-layered ONIOM study.

Per E M Siegbahn, Vladimir Pelmenschikov, P. Siegbahn, 2002, Inorganic chemistry.

Density Functional Calculations on Class III Ribonucleotide Reductase : Substrate Reaction Mechanism with Two Formates

P. Siegbahn, A. Gräslund, Kyung‐Bin Cho, 2004 .

Substrate-Dependent Conformational Switch of the Noncubane [4Fe-4S] Cluster in Heterodisulfide Reductase HdrB.

S. Todorović, I. Pereira, S. Venceslau, 2022, Journal of the American Chemical Society.

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

M. Kaupp, Louis Noodleman, Vladimir Pelmenschikov, 2015, Journal of chemical theory and computation.

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

D. Case, Louis Noodleman, Vladimir Pelmenschikov, 2008, Inorganic Chemistry.

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.

A. Schmidt, S. Frielingsdorf, O. Lenz, 2015, The journal of physical chemistry. B.

In Vitro Assembly as a Tool to Investigate Catalytic Intermediates of [NiFe]-Hydrogenase.

O. Lenz, P. Hildebrandt, I. Zebger, 2020, ACS catalysis.

Substrate-Gated Transformation of a Pre-Catalyst into an Iron-Hydride Intermediate [(NO)2(CO)Fe(μ-H)Fe(CO)(NO)2]- for Catalytic Dehydrogenation of Dimethylamine Borane.

I. Hsu, C. Pao, I. Sergueev, 2022, Inorganic chemistry.

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

P. Siegbahn, Vladimir Pelmenschikov, 2005, Inorganic chemistry.

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

P. Siegbahn, Vladimir Pelmenschikov, 2006, Journal of the American Chemical Society.

Correlations between metal spin states and vibrational spectra of a trinuclear Fe(II) complex exhibiting spin crossover

S. Katsyuba, M. Kaupp, Vladimir Pelmenschikov, 2015 .

NRVS and DFT of MitoNEET: Understanding the Special Vibrational Structure of a [2Fe-2S] Cluster with (Cys)3(His)1 Ligation.

K. Tamasaku, S. Cramer, Y. Yoda, 2021, Biochemistry.

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

M. Blomberg, Shi‐Lu Chen, P. Siegbahn, 2009, Journal of the American Chemical Society.

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

A. Stuchebrukhov, S. Cramer, I. Leontyev, 2015, Biochemistry.