Daniel Bím

发表

Reactive mode composition factor analysis of transition states: the case of coupled electron-proton transfers.

Martin Srnec, R. Čurík, R. Fučík, 2019, Physical chemistry chemical physics : PCCP.

Increase in Solubility of Poorly-Ionizable Pharmaceuticals by Salt Formation: A Case of Agomelatine Sulfonates

J. Klimeš, M. Hušák, L. Rulíšek, 2017 .

Electrostatic regulation of blue copper sites

A. Alexandrova, Daniel Bím, 2021, Chemical science.

Molecular design of redox carriers for electrochemical CO2 capture and concentration.

Fikile R. Brushett, Jenny Y. Yang, A. Alexandrova, 2022, Chemical Society reviews.

Toward Accurate Conformational Energies of Smaller Peptides and Medium-Sized Macrocycles: MPCONF196 Benchmark Energy Data Set.

L. Rulíšek, J. Řezáč, Daniel Bím, 2018, Journal of chemical theory and computation.

Understanding desaturation/hydroxylation activity of castor stearoyl Δ9-Desaturase through rational mutagenesis

I. Pichová, A. Svatoš, Martin Culka, 2022, Computational and structural biotechnology journal.

Mono- and binuclear non-heme iron chemistry from a theoretical perspective

P. Andrikopoulos, L. Rulíšek, J. Chalupský, 2016, JBIC Journal of Biological Inorganic Chemistry.

Computational and Experimental Design of Quinones for Electrochemical CO2 Capture and Concentration

Jenny Y. Yang, A. Alexandrova, Daniel Bím, 2022, ACS Sustainable Chemistry & Engineering.

Near-UV Water Splitting by Cu, Ni, and Co Complexes in the Gas Phase.

F. Tureček, V. Ryzhov, Andy Dang, 2018, The journal of physical chemistry. A.

Copper(II) and Zinc(II) Complexes of Conformationally Constrained Polyazamacrocycles as Efficient Catalysts for RNA Model Substrate Cleavage in Aqueous Solution at Physiological pH.

L. Rulíšek, V. Eigner, E. Svobodová, 2016, Chemistry.

Elucidating the Mechanism of Excited-State Bond Homolysis in Nickel-Bipyridine Photoredox Catalysts.

Ryan G. Hadt, Nathanael P. Kazmierczak, David A Cagan, 2022, Journal of the American Chemical Society.

Elucidating the Mechanism of Excited-State Bond Homolysis in Nickel-Bipyridine Photoredox Catalysts.

Ryan G. Hadt, Nathanael P. Kazmierczak, David A Cagan, 2021, Journal of the American Chemical Society.

Cytosine Radical Cations: A Gas-Phase Study Combining IRMPD Spectroscopy, UVPD Spectroscopy, Ion-Molecule Reactions, and Theoretical Calculations.

F. Tureček, V. Ryzhov, Andy Dang, 2017, Chemphyschem : a European journal of chemical physics and physical chemistry.

Radical Reactions Affecting Polar Groups in Threonine Peptide Ions.

F. Tureček, P. Andrikopoulos, Andy Dang, 2017, The journal of physical chemistry. B.

Predicting Effects of Site-Directed Mutagenesis on Enzyme Kinetics by QM/MM and QM Calculations: A Case of Glutamate Carboxypeptidase II.

J. Konvalinka, Martin Culka, L. Rulíšek, 2022, The journal of physical chemistry. B.

Beyond the classical thermodynamic contributions to hydrogen atom abstraction reactivity

L. Rulíšek, Martin Srnec, Mauricio Maldonado-Domínguez, 2018, Proceedings of the National Academy of Sciences.

Proton-Electron Transfer to the Active Site Is Essential for the Reaction Mechanism of Soluble Δ9-Desaturase.

E. Solomon, Martin Culka, L. Rulíšek, 2020, Journal of the American Chemical Society.

Local Electric Fields as a Natural Switch of Heme-Iron Protein Reactivity.

A. Alexandrova, Daniel Bím, 2021, ACS catalysis.

From Synthetic to Biological Fe4 S4 Complexes: Redox Properties Correlated to Function of Radical S-Adenosylmethionine Enzymes.

Martin Srnec, Santiago Alonso-Gil, Daniel Bím, 2020, ChemPlusChem.

Preparation and redox properties of fluorinated 1,3-diphenylisobenzofurans

R. Pohl, J. Michl, Jenica Marie L. Madridejos, 2019, Electrochimica Acta.

Dissecting the Temperature Dependence of Electron–Proton Transfer Reactivity

Martin Srnec, R. Fučík, Mauricio Maldonado-Domínguez, 2019, The Journal of Physical Chemistry C.

Macrocycle Conformational Sampling by DFT-D3/COSMO-RS Methodology

Jan Řezáč, Ondrej Gutten, Daniel Bím, 2017, J. Chem. Inf. Model..

Preparation of (Pentafluorosulfanyl)benzenes by Direct Fluorination of Diaryldisulfides: Synthetic Approach and Mechanistic Aspects.

Martin Culka, L. Rulíšek, P. Beier, 2019, Chemistry.

Structural and computational basis for potent inhibition of glutamate carboxypeptidase II by carbamate-based inhibitors.

L. Rulíšek, C. Bařinka, D. Ferraris, 2019, Bioorganic & medicinal chemistry.

Electrochemical Carbon Dioxide Capture and Concentration.

McLain E. Leonard, Jenny Y. Yang, A. Alexandrova, 2023, Chemical reviews.

Photogenerated Ni(I)-Bipyridine Halide Complexes: Structure-Function Relationships for Competitive C(sp2)-Cl Oxidative Addition and Dimerization Reactivity Pathways.

Ryan G. Hadt, Nathanael P. Kazmierczak, David A Cagan, 2023, Inorganic chemistry.

Mono- and binuclear non-heme iron chemistry from a theoretical perspective

P. Andrikopoulos, L. Rulíšek, J. Chalupský, 2016, JBIC Journal of Biological Inorganic Chemistry.

Accurate Prediction of One-Electron Reduction Potentials in Aqueous Solution by Variable-Temperature H-Atom Addition/Abstraction Methodology.

L. Rulíšek, Martin Srnec, Daniel Bím, 2016, The journal of physical chemistry letters.

From random to rational: improving enzyme design through electric fields, second coordination sphere interactions, and conformational dynamics

A. Alexandrova, Shobhit S. Chaturvedi, Daniel Bím, 2023, Chemical science.

Mechanisms of Photoredox Catalysis Featuring Nickel–Bipyridine Complexes

Ryan G. Hadt, Nathanael P. Kazmierczak, David A Cagan, 2024, ACS catalysis.

Copper(II) and Zinc(II) Complexes of Conformationally Constrained Polyazamacrocycles as Efficient Catalysts for RNA Model Substrate Cleavage in Aqueous Solution at Physiological pH.

L. Rulíšek, V. Eigner, E. Svobodová, 2016, Chemistry.

Radical Reactions Affecting Polar Groups in Threonine Peptide Ions.

F. Tureček, P. Andrikopoulos, Andy Dang, 2017, The journal of physical chemistry. B.