RNDr. Jindřich Fanfrlík, Ph. D.

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Fat or flat? The impact of dipole moment vectors on non-covalent interactions between aromatic tags and macromolecules

J. Holub A. Jílková C. Lemke L. Cianni P. Spiwoková M. Horn C. Breuer A. Leontovyč J. Brynda H. Mertlíková-Kaiserová M. Chanová F. dos Reis Rocho C. A. Montanari N. El-Sakkary C. R. Caffrey M. Gütschow D. Hnyk M. Mareš J. Fanfrlík

Inorganic Chemistry Frontiers 2025: Early View

Polythieno[3,4-b]pyrazine: pathways to metallic charge transport

D. Farka E. Leeb O. Irrazabal Moreda T. Greunz C. Ulbricht J. Duchoslav J. Vacek K. Kříž J. Fanfrlík C. Yumusak J. Drnec J. Kajčovič D. Stifter N. S. Sariciftci

Journal of Materials Chemistry A 13 (30): 25131–25145 (2025)

Comparative Analysis of Quantum-Mechanical and Standard Single-Structure Protein–Ligand Scoring Functions with MD-Based Free Energy Calculations

M. Jalaie J. Fanfrlík A. Pecina M. Lepšík J. Řezáč

Journal of Chemical Information and Modeling 65 (15): 8127–8136 (2025)

Multiscale Computational Protocols for Accurate Residue Interactions at the Flexible Insulin–Receptor Interface\r\n

Y. Yurenko A. Muždalo M. Černeková A. Pecina J. Řezáč J. Fanfrlík L. Žáková J. Jiráček M. Lepšík

Journal of Chemical Information and Modeling 65 (11): 5690–5705 (2025)