Publication Records

WIESNER, Jiří, Zdeněk KŘÍŽ and Jaroslav KOČA. ALTERNATIVE ENTRANCES OPENING IN ACETYLCHOLINESTERASE. In 10th International Meeting on Cholinesterases. 2009. ISBN 978-953-95551-3-7.

ADAM, Jan, Zdeněk KŘÍŽ, Martin PROKOP, Michaela WIMMEROVÁ and Jaroslav KOČA. Analyzing and modelling thermodynamics; the key to lectin engineering. In Cukrblik 2009. Brno: Masarykova Univerzita, 2009, p. 11. ISBN 978-80-210-4831-7.

WIMMEROVÁ, Michaela, Navnit Kumar MISHRA, Martina POKORNÁ and Jaroslav KOČA. Importance of oligomerisation on Pseudomonas aeruginosa Lectin-II binding affinity. In silico and in vitro mutagenesis. Journal of Molecular Modeling. 2009, vol. 15, No 6, p. 673-679. ISSN 1610-2940.

KŘÍŽ, Zdeněk, Jan ADAM, Martin PROKOP, Michaela WIMMEROVÁ and Jaroslav KOČA. DECIPHERING THE SUGAR PREFERENCE RULES - COMPUTER-ASSISTED PROTEIN ENGINEERING OF BACTERIAL LECTIN PA-IIL. In 33rd FEBS Congress and 11th IUBMB Conference. OXFORD: BLACKWELL PUBLISHING, 2008, p. 1-1. ISSN 1742-464X.

ADAM, Jan, Martina POKORNÁ, Zdeněk KŘÍŽ, Martin PROKOP, Jaroslav KOČA and Michaela WIMMEROVÁ. In Silico and In Vitro Mutagenesis of PA-IIL Lectin - Correlation with Structure-Function Analysis. In Proceedings of the Eighth Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC 2008). Sydney: World Association of Theoretical and Computational Chemists, 2008, p. 475-475. ISBN 978-0-646-50151-2.

ADAM, Jan, Zdeněk KŘÍŽ, Martin PROKOP, Michaela WIMMEROVÁ and Jaroslav KOČA. In silico mutagenesis and docking studies of Pseudomonas aeruginosa lectin PA-IIL - predicting binding modes and energies. Journal of Chemical Information and Modeling. 2008, vol. 48, No 11, p. 2234-2242, 8 pp. ISSN 1549-9596.

MISHRA, Navnit Kumar, Martin PETŘEK, Michaela WIMMEROVÁ, Anne IMBERTY and Jaroslav KOČA. Theoretical study of the lectin-carbohydrate interactions. In FEBS Journal Volume 275 Supplement 1. 2008th ed. Oxford (UK): Blackwell Publishing Ltd., 2008, p. 459. ISSN 1742-464X.

PROKOP, Martin, Jan ADAM, Zdeněk KŘÍŽ, Michaela WIMMEROVÁ and Jaroslav KOČA. TRITON - Software for In Silico Engineering of Carbohydrate Binding Proteins. In Proceedings of the Eighth Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC 2008). Sydney: World Association of Theoretical and Computational Chemists, 2008, p. 035-035. ISBN 978-0-646-50151-2.

WIESNER, Jiří, Zdeněk KŘÍŽ, Kamil KUČA, Daniel JUN and Jaroslav KOČA. Acetylcholinesterases - the similarities and differences. Journal of Enzyme Inhibition and Medicinal Chemistry. UK: Taylor & Francis, 2007, vol. 22, No 4, p. 417-424. ISSN 1475-6366.

WIESNER, Jiří, Zdeněk KŘÍŽ and Jaroslav KOČA. Alternative entrances into the acetylcholinesterase active site. In Strukturní biofyzika makromolekul II. 2007.

WIESNER, Jiří, Zdeněk KŘÍŽ and Jaroslav KOČA. Tryptophane as a Rotating Flap: Omega Loop Dynamics in Acetylcholinesterase. In Modeling Interactions in Biomolecules III. 2007.

KŘÍŽ, Zdeněk, Jan ADAM, Ondřej ŠULÁK, Michaela WIMMEROVÁ and Jaroslav KOČA. UNRAVELING THE PROBLEMS OF PROTEIN - SACCHARIDE INTERACTIONS VIA COMPUTATIONAL CHEMISTRY. Materials structure. Czech Republic: Czech and Slovak Crystallographic Associ, 2007, vol. 14, No 1, p. 38. ISSN 1211-5894.

ŠPONER, Jiří and Filip LANKAŠ. Challenges and advances in computational chemistry and physics. Computational studies of RNA and DNA. Netherlands: Springer, 2006, 635 pp. Volume 2. ISBN 1-4020-4794-0.

ŠPAČKOVÁ, Naděžda, Thomas E CHEATHAM and Jiří ŠPONER. Molecular dynamics simulations of nucleic acids: MD simulations of G-DNA and functional RNAs. In Challenges and advances in computational chemistry and physics. Computational studies of RNA and DNA. Netherlands: Springer, 2006, p. 301-326. Volume 2. ISBN 1-4020-4794-0.

WIESNER, Jiří, Zdeněk KŘÍŽ, Kamil KUČA, Daniel JUN and Jaroslav KOČA. Počítačové modelování a simulace - nové technologie při vývoji prostředkůproti chemickým bojovým látkám (Computer modeling and simulations - the new technologies in the development of means againts chemical warfare agents). Voj. zdrav. listy. Hradec Králové: Univerzita obrany, 2005, roč. 74, 5/6, p. 171-177. ISSN 0372-7025.

WIESNER, Jiří, Zdeněk KŘÍŽ and Jaroslav KOČA. Structure and dynamics of sarin-inhibited acetylcholinesterase. In Strukturní biofyzika makromolekul. Brno: Biofyzikálny ústav AVČR a MU v Brne, 2005, p. 21-21.

WIESNER, Jiří, Zdeněk KŘÍŽ and Jaroslav KOČA. Structure and dynamics of sarin-inhibited acetylcholinesterase. In Modeling Interactions in Biomolecules II. Praha: Univerzita Karlova, Praha, 2005, p. 1-1.

KASPRZAK, Jan. Globální optimalizace v počítačové chemii (Global Optimization in Computational Chemistry). Brno, 1996, 39 s. + di.