Tibor András Rokob

HUN-REN Research Centre for Natural Sciences — Hungary

Chemistry · Physical Sciences

22h-index2.6kcitations52works0.02yr avg
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Research Topics

Organoboron and organosilicon chemistry(14), Crystallography and molecular interactions(9), Synthesis and characterization of novel inorganic/organometallic compounds(6), Metal-Catalyzed Oxygenation Mechanisms(6), Chemical Synthesis and Reactions(5)

Publications52 total

Optimal Collision Energies and Bioinformatics Tools for Efficient Bottom-up Sequence Validation of Monoclonal Antibodies
Analytical Chemistry·2019· 12 citedOpen Access
Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors
Bioorganic & Medicinal Chemistry·2018· 28 citedOpen Access
Selection of Collision Energies in Proteomics Mass Spectrometry Experiments for Best Peptide Identification: Study of Mascot Score Energy Dependence Reveals Double Optimum
Journal of Proteome Research·2018· 20 cited
Pathways for Arene Oxidation in Non-Heme Diiron Enzymes: Lessons from Computational Studies on Benzoyl Coenzyme A Epoxidase
Journal of the American Chemical Society·2016· 14 cited
ChemInform Abstract: Mono‐ and Binuclear Non‐Heme Iron Chemistry from a Theoretical Perspective
ChemInform·2016
Mono- and binuclear non-heme iron chemistry from a theoretical perspective
JBIC Journal of Biological Inorganic Chemistry·2016· 22 citedOpen Access
Comparison of human glutamate carboxypeptidases <scp>II</scp> and <scp>III</scp> reveals their divergent substrate specificities
FEBS Journal·2016· 26 citedOpen Access
CCDC 1023943: Experimental Crystal Structure Determination
The Cambridge Structural Database·2015Open Access
Transformation of Zwitterionic Pyridine Derivatives to a Spiro-Fused Ring System: Azoniabenzo[<i>de</i>]fluorine. Synthesis and Mechanistic Rationalization
The Journal of Organic Chemistry·2014· 2 cited
Reactivity of the Binuclear Non-Heme Iron Active Site of Δ<sup>9</sup> Desaturase Studied by Large-Scale Multireference <i>Ab Initio</i> Calculations
Journal of the American Chemical Society·2014· 67 cited
Fragmentation, structure, and energetics of small sodium formate clusters: Evidence for strong influence of entropic effects
International Journal of Mass Spectrometry·2013· 5 cited
Reactivity Models of Hydrogen Activation by Frustrated Lewis Pairs: Synergistic Electron Transfers or Polarization by Electric Field?
Journal of the American Chemical Society·2013· 220 cited
Hydrogen Activation by Frustrated Lewis Pairs: Insights from Computational Studies
Topics in current chemistry·2013· 56 cited
Új szintézismódszerek kidolgozása és alkalmazása célzott hatásterületen aktív heterociklusos molekulák szintézisére = Elaboration and application of new synthetic methodologies for the synthesis of heterocyclic molecules of aimed biological activity
Repository of the Academy's Library (Library of the Hungarian Academy of Sciences)·2013Open Access
Coordination and Bond Activation in Complexes of Regioisomeric Phenylpyridines with the Nickel(II) Chloride Cation in the Gas Phase
The Journal of Physical Chemistry A·2012· 18 cited
Internal coordinates of quantum-mechanical systems
Physical Review A·2012· 3 cited
ChemInform Abstract: Rearrangement of Aryl‐ and Benzylthiopyridinium Imides with Participation of a Methyl Substituent.
ChemInform·2012
Curvature correction for microiterative optimizations with QM/MM electronic embedding
Journal of Computational Chemistry·2012· 7 cited
Structural and Spectroscopic Properties of the Peroxodiferric Intermediate of <i>Ricinus communis</i> Soluble Δ<sup>9</sup> Desaturase
Inorganic Chemistry·2012· 36 cited
Theoretical calculations of physico-chemical and spectroscopic properties of bioinorganic systems: current limits and perspectives
Dalton Transactions·2012· 29 cited
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Frequent Co-authors

Imre Pápai(18), Lubomı́r Rulı́šek(10), Andrea Hamza(9), Orsolya Egyed(9), Zsuzsanna Riedl(9), Tibor Soós(7), Ágnes Révész(7), György Hajós(7), Roberta Palkó(7), András Stirling(6), Mehdi Hasan(5), Martin Srnec(5), Detlef Schröder(5), Gábor Erős(4), P. Király(4), Gábor Tárkányi(4), Győző G. Láng(4), Jakub Chalupský(3), Martin Havlík(3), Bohumil Dolenský(3)