Structural Chemistry. 2023; 34(2); 713-722
Mgr. David Řeha, Ph.D.
Publikace
Journal of Molecular Liquids. 2022; 366(15 November); 120287
Molecular simulation of poly(VDF-HFP) copolymer with imidazolium- based ionic liquid as an effective medium for biogas separation
Journal of Molecular Modeling. 2022; 28(9); 266
Explaining the interaction of mangiferin with MMP-9 and NF- k beta: a computational study
Journal of Materials Chemistry C. 2022; 10(33); 12022-12031
Additive transport in DNA molecular circuits
Biophysical Chemistry. 2022; 287(AUG 2022); 106825
Specific anion effect on properties of HRV 3C protease
Journal of Molecular Liquids. 2022; 347(FEB 1 2022); 118350
Structural specificity of groove binding mechanism between imidazolium-based ionic liquids and DNA revealed by synchrotron-UV Resonance Raman spectroscopy and molecular dynamics simulations
Journal of Molecular Liquids. 2021; 344(DEC 15 2021); 117877
Novel room temperature ionic liquids and low melting mixtures based on imidazolium: Cheap ionic solvents for chemical and biological applications
Journal of Environmental Management. 2021; 283(APR 1); 111989
Computational and experimental assessment of pH and specific ions on the solute solvent interactions of clay-biochar composites towards tetracycline adsorption: Implications on wastewater treatment
Journal of Molecular Liquids. 2020; 315(OCT 1 2020); 113702
From the vapor-liquid equilibrium to the supercritical condition. Molecular dynamics modeling of 1;3-butadiene
Molecules. 2020; 25(9); 2247
Conserved Dynamic Mechanism of Allosteric Response to L-arg in Divergent Bacterial Arginine Repressors
Journal of Molecular Modeling. 2020; 26(4); 75
The study of conformational changes in photosystem II during a charge separation
Journal of Physical Chemistry C. 2020; 124(13); 7477-7486
Interstrand Charge Transport within Metallo-DNA: the Effect Due to Hg(II)- and Ag(I)-Mediated Base Pairs
Journal of Molecular Liquids. 2019; 284(June 15); 59-67