Staff Members
Marcin Hoffmann, Prof.
Room: G 4.104
Phone: +48 618291647
e-mail: hoffmann[at]man.poznan.pl
Web of Science ResearcherID
Selected Publications
RESEARCH PROFILE
Quantum chemical studies on interactions governing recognition between the molecules and influencing the shape of molecules allow us to understand how molecules attract each other. Further it may lead to a prediction of favorable modes of interaction, that may be exploited in the design of inhibitors of a given enzyme or receptor. Currently I am working on the design of inhibitors of SARS coronavirus helicase and main protease, as well as on the design of molecules that may alleviate acne problems. I am also interested in quantum mechanical studies of selected statines (drugs used to lower cholesterol level) and their photo induced toxicity.
Selected publications
- V. Patroniak, A. R. Stefankiewicz, J.-M. Lehn, M. Kubicki, M. Hoffmann
Self-Assembly and Characterization of Homo- and Heterodinuclear Complexes of Zinc(II) and Lanthanide(III) Ions with a Tridentate Schiff-Base Ligand. European J. Inorg. Chem 2006, 144-149. - T. Grabarkiewicz, M. Hoffmann
Syn and anti conformations of 5.-deoxy- and 5.-O-methyl- uridine 2., 3.-cyclic monophosphate. J. Mol. Mod. 2006, 2, 205-212 - E. Sikorska, I. Khmelinskii, M. Hoffmann, I. F. Machado, L. F. V. Ferreira, K. Dobek, J. Karolczak, A. Krawczyk, M. Insinska-Rak, M. Sikorski
Ground- and Excited-State Double Proton Transfer in Lumichrome/Acetic Acid System: Theoretical and Experimental Approach. J. Phys. Chem. A 2005, 109, 11707-11714. - M. Hoffmann, M. Chrzanowska, T. Hermann, J. Rychlewski
Modeling of Purine Derivatives Transport across Cell Membranes Based on Their Partition Coefficient Determination and Quantum Chemical Calculations. J. Med. Chem. 2005, 48, 4482-4486. - M. Hoffmann, U. Rychlewska, B. Warzajtis
The Role of Multiple Parallel and Antiparallel Local Dipoles for Molecular Structure and Intermolecular Interactions of Oxalamides. CrystEngComm 2005, 7, 260-265. - M. Hoffmann, A. Plutecka, U. Rychlewska, Z. Kucybala, J. Paczkowski, I. Pyszka
New Type of Bonding Formed Due to an Overlap between π-Aromatic and π* C=O Molecular Orbitals Stabilizes the Coexistence in One Molecule the Ionic and Neutral meso-Ionic Forms of Imidazopyridine. J. Phys. Chem. A 2005, 109, 4568-4574. - M. Hoffmann
Quantum Chemical Study on Chiral Recognition Modes between Esters of a-Hydroxycarboxylic Acids and Amino Acids. Polish Journal of Chemistry 2005, 75, 1179-1186. - M. Hoffmann, I. V. Khavrutskii, D. G. Musaev, K. Morokuma
The Protein Effect on the O2 Binding to the Active Site of the Methane Monooxygenase: ONIOM Study. Int. J. Quantum Chem. 2004, 99, 972-980. - M. Giel-Pietraszuk, M. Hoffmann, S. Dolecka, J. Rychlewski, J. Barciszewski
Palindromes in Proteins. Journal of Protein Chemistry 2003, 22, 109-113. - M. Hoffmann, J. Rychlewski
When, in the Context of Drug Design, Can a Fluorine Atom Successfully Substitute a Hydroxyl Group? Int. J. Quantum Chem. 2002, 89, 419-427.