Contact
Email: | , |
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Research group: | Computational Chemistry - Jaroslav Koča |
Workplace: |
Masarykova univerzita - CEITEC Masarykova Univerzita
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Publications that are part of the Web of Science database, possibly also other publications chosen by authors.
2020
- Houser, J; Kozmon, S; Mishra, D; Hammerova, Z; Wimmerova, M; Koca, J, 2020: The CH-pi Interaction in Protein-Carbohydrate Binding: Bioinformatics and In Vitro Quantification. CHEMISTRY-A EUROPEAN JOURNAL 26(47), p. 10769 - 10780, doi: 10.1002/chem.202000593
2018
- Janos, P; Kozmon, S; Tvaroska, I; Koca, J, 2018: How Mycobacterium tuberculosis Galactofuranosyl Transferase2 (GlfT2) Generates Alternating beta-(1-6) and beta-(1-5) Linkages: AQM/MM Molecular Dynamics Study of the Chemical Steps. CHEMISTRY-A EUROPEAN JOURNAL 24(27), p. 7051 - 7059, doi: 10.1002/chem.201800558
- Janoš, P; Kozmon, S; Tvaroška, I; Koča, J, 2018: How Mycobacterium tuberculosis Galactofuranosyl Transferase 2 (GlfT2) Generates Alternating β-(1-6) and β-(1-5) Linkages: A QM/MM Molecular Dynamics Study of the Chemical Steps. CHEMISTRY-A EUROPEAN JOURNAL , doi: 10.1002/chem.201800558
- Zufanova, Z; Houser, J; Kozmon, S; Mishra, D; Wimmerova, M; Koca, J, 2018: Importance of CH-pi stacking interaction in carbohydrate-protein complexes. FEBS OPEN BIO 8, p. 385 - 385
2017
- Houser, J; Kozmon, S; Mishra, D; Mishra, SK; Romano, PR; Wimmerova, M; Koca, J, 2017: Influence of Trp flipping on carbohydrate binding in lectins. An example on Aleuria aurantia lectin AAL. PLOS ONE 12(12), doi: 10.1371/journal.pone.0189375
2016
- Janos, P; Trnka, T; Kozmon, S; Tvaroska, I; Koca, J, 2016: Different QM/MM Approaches To Elucidate Enzymatic Reactions: Case Study on ppGalNAcT2. JOURNAL OF CHEMICAL THEORY AND COMPUTATION 12(12), p. 6062 - 6076, doi: 10.1021/acs.jctc.6b00531
- Janos, P; Kozmon, S; Tvaroska, I; Koca, J, 2016: Three-dimensional homologymodel of GlcNAc-TV glycosyltransferase. GLYCOBIOLOGY 26(7), p. 757 - 771, doi: 10.1093/glycob/cww010
2015
- Kumari, M; Kozmon, S; Kuhanek, P; Stepan, J; Tvaroska, I; Koca, J, 2015: Exploring Reaction Pathways for O-GlcNAc Transferase Catalysis. A String Method Study. JOURNAL OF PHYSICAL CHEMISTRY B 119(12), p. 4371 - 4381, doi: 10.1021/jp511235f
- Trnka, T; Kozmon, S; Tvaroska, I; Koca, J, 2015: Stepwise Catalytic Mechanism via Short-Lived Intermediate Inferred from Combined QM/MM MERP and PES Calculations on Retaining Glycosyltransferase ppGalNAcT2. PLOS COMPUTATIONAL BIOLOGY 11(4), doi: 10.1371/journal.pcbi.1004061
- Kozmon, S; Tvaroska, I, 2015: Molecular dynamic studies of amyloid-beta interactions with curcumin and Cu2+ ions. CHEMICAL PAPERS 69(9), p. 1262 - 1276, doi: 10.1515/chempap-2015-0134
2012
- Wimmerova, M; Kozmon, S; Necasova, I; Mishra, SK; Komarek, J; Koca, J, 2012: Stacking Interactions between Carbohydrate and Protein Quantified by Combination of Theoretical and Experimental Methods. PLOS ONE 7(10), doi: 10.1371/journal.pone.0046032
2011
- Kozmon, S; Matuska, R; Spiwok, V; Koca, J, 2011: Dispersion interactions of carbohydrates with condensate aromatic moieties: Theoretical study on the CH-pi interaction additive properties. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 13(31), p. 14215 - 14222, doi: 10.1039/c1cp21071h
- Kozmon, S; Matuska, R; Spiwok, V; Koca, J, 2011: Three-Dimensional Potential Energy Surface of Selected Carbohydrates´ CH/pi Dispersion Interactions Calculated by High-Level Quantum Mechanical Methods. CHEMISTRY-A EUROPEAN JOURNAL 17(20), p. 5680 - 5690, doi: 10.1002/chem.201002876
- Both, P; Sobczak, L; Breton, C; Hann, S; Nobauer, K; Paschinger, K; Kozmon, S; Mucha, J; Wilson, IBH, 2011: Distantly related plant and nematode core alpha 1,3-fucosyltransferases display similar trends in structure-function relationships. GLYCOBIOLOGY 21(11), p. 1401 - 1415, doi: 10.1093/glycob/cwr056
- SYLICA - Synergies of Life and Material Sciences to Create a New Future (286154), Evropská unie, 2011 - 2015
- InterBioNet - Podpora mezinárodní a mezisektorové spolupráce ve výzkumu a vývoji v oblasti věd o živé přírodě (CZ.1.07/2.4.00/17.0042), Ministerstvo školství, mládeže a tělovýchovy ČR, 2011 - 2014
- Saccharide - protein dispersion interactions involved in the bacterial recognition processes (2SGA2747), Jihomoravský kraj, 2011 - 2013
- Molekulární a strukturní biologie vybraných cytostatik. Od mechanických studií k chemoterapii rakoviny (GD301/09/H004), Grantová agentura ČR, 2009 - 2012
- REAKTIVACE - Výzkum reaktivace acetylcholinesterasy metodami výpočetní chemie (OVMASUN200901), Ministerstvo obrany ČR, 2009 - 2012