Short Biography
List of Publications
Google Scholar Profile
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TEACHING MATERIAL (password protected pages)
Introduction to structural modeling of bioactive molecules
Calculation of molecular interactions
Protein science (in Hungarian, ELTE MSc course)

Jeszenoi N, Horvath I, Balint M, van der Spoel D, Hetenyi C* (2015) Mobility-based prediction of hydration structures of protein surfaces.

Bioinformatics, 31, 1959-65

Program MobyWat is available here

Garcia-Sosa AT, Maran U, Hetenyi C* (2012) Molecular property filters describing pharmacokinetics and drug binding.

Curr Med Chem 19, 1646-62

Hetenyi C*, van der Spoel D (2011) Toward prediction of functional protein pockets using blind docking and pocket search algorithms.

Protein Sci 20, 880-93

Takacs B, O'Neall-Hennessey E, Hetenyi C, Kardos J, Szent-Gyorgyi AG, Kovacs M (2011) Myosin cleft closure determines the energetics of the actomyosin interaction.

FASEB J 25, 111-21

Org T, Chignola F, Hetenyi C, Gaetani M, Rebane A, Liiv I, Maran U, Mollica L, Bottomley MJ, Musco G, Peterson P (2008) The Autoimmune Regulator PHD finger binds non-methylated Histone H3K4 to activate gene expression.
EMBO Reports 9, 370-6
Hetenyi C*, Maran U, Garcia-Sosa AT, Karelson M (2007) Structure-based calculation of drug efficiency indices.
Bioinformatics 23, 2678-85
Hetenyi C*, van der Spoel D (2006) Blind docking of drug-sized compounds to proteins with up to a thousand residues.
FEBS Letters 580, 1447-50
Hetenyi C*, Paragi G, Maran U, Timar Z, Karelson M, Penke B (2006) Combination of a modified scoring function with two-dimensional descriptors for calculation of binding affinities of bulky, flexible ligands to proteins.
J Am Chem Soc 128, 1233-9
Fodor K, Harmat V, Hetenyi C, Kardos J, Antal J, Perczel A, Patthy A, Katona G, Graf L (2005) Extended intermolecular interactions in a serine protease-canonical inhibitor complex account for strong and highly specific inhibition.
J Mol Biol 350, 156-69
Kovacs M, Toth J, Hetenyi C, Malnasi-Csizmadia A, Sellers JR (2004) Mechanism of blebbistatin inhibition of myosin II.
J Biol Chem 279, 35557-63
Hetenyi C*, Szabo Z, Klement E, Datki Z, Kortvelyesi T, Zarandi M, Penke B (2002) Pentapeptide amides interfere with the aggregation of beta amyloid peptide of Alzheimer's disease.
Biochem Biophys Res Comm, 292, 931-6
Hetenyi C, van der Spoel D (2002) Efficient docking of peptides to proteins without prior knowledge of the binding site.
Protein Sci, 11, 1729-37
Hetenyi C*, Kortvelyesi T, Penke B (2002) Mapping of the possible binding sequences of two beta-sheet breaker peptides on beta amyloid peptide of Alzheimer's disease.
Bioorgan Med Chem, 10, 1587-93