Publication Records

ADAM, Jan, Zdeněk KŘÍŽ, Martin PROKOP, Thomais CHATZIPAVLOU, Petros ZOTOS, Jaroslav KOČA and Michaela WIMMEROVÁ. CRACKING THE LECTIN CODE ; IN SILICO MODELING AND STRUCTURE-FUNCTIONAL STUDY OF PRINCIPLES DRIVING SUGAR PREFERENCE IN PAIIL FAMILY. In FEBS Journal. Oxford: Wiley-Blackwell, 2009, p. 12-13. ISSN 1742-464X.

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.

BLANCHARD, Bertrand, Alessandra NURISSO, Emilie HOLLWILLE, Cecile TETAUD, Joele WIELLS, Martina POKORNÁ, Michaela WIMMEROVÁ, Annabelle VARROTTE and Anne IMBERTY. Structural Basis of the Preferential Binding for Globo-Series Glycosphingolipids Displayed by Pseudomonas aeruginosa Lectin I. Journal of Molecular Biology. Amsterdam: Elsevier, 2008, vol. 383, No 4, p. 837-853. ISSN 0022-2836.

ADAM, Jan, Zdeněk KŘÍŽ, Lenka MALINOVSKÁ, Emily LAMEIGNERE, Anne IMBERTY, Jaroslav KOČA and Michaela WIMMEROVÁ. Studying the binding properties of BclA lectin - experiment and modeling. In FEBS Journal. OXFORD: BLACKWELL PUBLISHING, 2008, p. 175-175. ISSN 1742-464X.

ADAM, Jan, Martina POKORNÁ, Zdeněk KŘÍŽ, Anne IMBERTY, Charles SABIN, Jaroslav KOČA and Michaela WIMMEROVÁ. Computational chemistry as a helpful tool for biochemist - structure-functional study and correlation en route to protein engineering. In Materials Structure, vol. 14, no. 1 (2007), 6th Discussions in Structural Molecular Biology. Prague: Czech and Slovak Crystallographic Association, 2007, 1 pp. ISSN 1211-5894.

MISHRA, Navnit Kumar, Petr KULHÁNEK, Zdenek KRIZ, Michaela WIMMEROVA and Jaroslav KOCA. Computational Studies on PA-IIL Lectin-Carbohydrate Interactions. In Materials Structure in Chemistry, Biology, Physics and Technology. 2007. ISSN 1211-5894.

FADRNÁ, Eva, Jiří FUKAL and Jaroslav KOČA. Computational study of restriction endonuclease HincII. In Materials Structure, vol. 14, no. 1 (2007), 6th Discussions in Structural Molecular Biology. Nové Hrady, Czech Republic: Academic and University Center, Nové Hrady, 2007, p. 33-33.

VONDRÁŠEK, Jiří, Tomáš KUBAŘ, Francis E. JENNEY, JR., Michael W.W. ADAMS, Milan KOŽÍŠEK, Jiří ČERNÝ, Vladimír SKLENÁŘ and Pavel HOBZA. Dispersive interactions govern strong thermal stability of a protein. Chemistry- A European Journal. 2007, vol. 13, No 32, p. 9022-9027. ISSN 0947-6539.

ADAM, Jan, Martina POKORNÁ, Nikola KOSTLÁNOVÁ, Ondřej ŠULÁK, Zdeněk KŘÍŽ, Anne IMBERTY, Jaroslav KOČA and Michaela WIMMEROVÁ. Molecular modeling as a biochemist's best friend - structure-functional and computational analysis of lectin-saccharide interaction on the way to protein enginneering. In Cukrblik 2007 : Current Chemistry and Biochemistry of Saccharides. Prague: Institute of Chemical Technology, 2007, p. 6-6. ISBN 978-80-7080-006-5.

ADAM, Jan, Martina POKORNÁ, Charles SABIN, Martin PROKOP, Zdeněk KŘÍŽ, Anne IMBERTY, Jaroslav KOČA and Michaela WIMMEROVÁ. Molecular modeling in hands of protein engineers - the lectin-saccharide interaction study. In FEBS Journal 274 (suppl. 1), 32th FEBS Congress "Molecular Machines". Cambridge: Blackwell Publishing, 2007, p. 263-263. ISSN 1742-464X.

ADAM, Jan, Martina POKORNÁ, Martin PROKOP, Zdeněk KŘÍŽ, Anne IMBERTY, Jaroslav KOČA and Michaela WIMMEROVÁ. Mutagenesis of PA-IIL and related affinity changes - structure-functional, computational and thermodynamic study. In Young Scientist Forum 'Molecular Networks'. 2007.

ADAM, Jan, Martina POKORNÁ, Charles SABIN, Martin PROKOP, Zdeněk KŘÍŽ, Anne IMBERTY, Jaroslav KOČA and Michaela WIMMEROVÁ. Mutagenesis of PA-IIL and related affinity changes - molecular modeling in service of protein engineering (Mutagenesis of PA-IIL and related affinity changes - molecular modeling in service of protein engineering). In Konference Grantové Agentury České republiky - Strukturní biofyzika makromolekul II. Brno: Biofyzikální ústav AV ČR a Masarykova univerzita, 2007, p. 25.

ADAM, Jan, Martina POKORNÁ, Charles SABIN, Zdeněk KŘÍŽ, Anne IMBERTY, Jaroslav KOČA and Michaela WIMMEROVÁ. Protein Engineering and Molecular Modeling 'IN CAPSULE' - Computer-Assisted Prediction of SUgar-LEctin INteractions. Structure-functional and computational study of bacterial lectin PA-IIL (Protein Engineering and Molecular Modeling 'IN CAPSULE' - Computer-Assisted Prediction of SUgar-LEctin INteractions. Structure-functional and computational study of bacterial lectin PA-IIL). In International Congress of Young Chemists YoungChem 2007. Warsaw: Chemical Scientific Society Flogiston, 2007, p. 68. ISBN 978-83-61037-16-3.

ADAM, Jan, Martina POKORNÁ, Charles SABIN, Zdeněk KŘÍŽ, Anne IMBERTY, Michaela WIMMEROVÁ and Jaroslav KOČA. Structure as a key to function: protein engineering and molecular modeling of lectin-saccharide interactions. In Synchrotron Facilities for the Development of Science and Technology in Central and Eastern Europe. Brno: Biofyzikální ústav AV ČR, 2007, p. 8-9.

ADAM, Jan, Martina POKORNÁ, Zdeněk KŘÍŽ, Anne IMBERTY, Charles SABIN, Jaroslav KOČA and Michaela WIMMEROVÁ. Structure-functional study of PA-IIL mutants: employing computational chemistry as a biomolecular chemist's tool. In Sborník konference XI. Setkání biochemiků a molekulárních biologů. Brno: Masarykova Univerzita, 2007, p. 17. ISBN 978-80-210-4234-6.

ADAM, Jan, Martina POKORNÁ, Charles SABIN, Zdeněk KŘÍŽ, Anne IMBERTY, Jaroslav KOČA and Michaela WIMMEROVÁ. Strukturně funkční studie afinitních změn v lektin sacharidových systémech: počítačová chemie ve službách proteinového inženýrství (Mutagenesis of PA-IIL and related affinity changes - molecular modeling in hands of protein engineers). In Chem. Listy 101, 425–465 (2007) - VII. Mezioborové setkání mladých biologů, biochemiků a chemiků. Praha: Česká společnost chemická, 2007, p. 427-427. ISSN 0009-2770.

ADAM, Jan, Martina POKORNÁ, Charles SABIN, Zdeněk KŘÍŽ, Anne IMBERTY, Jaroslav KOČA and Michaela WIMMEROVÁ. Utilizing Computational Chemistry for protein engineering - study of lectin-saccharide interactions. In European Biophysics Journal 36 (suppl. 1), 6th EBSA Biophysics Congress. London: Springer, 2007, p. 111-111. ISSN 0175-7571.

BOTTE, Cyrille, Charlotte JEANNEAU, Lenka ŠNAJDROVÁ, Olivier BASTIEN, Anne IMBERTY, Christelle BRETON and Eric MARECHAL. Molecular modeling and site-directed mutagenesis of plant chloroplast monogalactosyldiacylglycerol synthase reveal critical residues for activity. J. Biol. Chem. 2005, vol. 280, No 41, p. 34691-34701. ISSN 0021-9258.

NAVRÁTILOVÁ, Hana, Radka OPATŘILOVÁ, Zdeněk KŘÍŽ and Jaroslav KOČA. Enantioselective chromatography and molecular modeling of novel aryloxyaminopropan-2-ols with the alkyl carbamate function. Chirality. 2004, vol. 16, No 3, p. 139-146. ISSN 0899-0042.

KULHÁNEK, Petr, Milan POTÁČEK and Jaroslav KOČA. Quantum-chemical insight into mechanism of combined intra-intermolecular cycloaddition. Collection of Czechoslovak Chemical Communications. Prague, 2004, 69/2004, No 1, p. 231-241. ISSN 0010-0765.

KŘÍŽ, Zdeněk, Jaroslav KOČA, Anne IMBERTY, Aurelia CHARLOT and Rachel AUZELY-VELTY. Investigation of the complexation of (+)-catechin by b-cyclodextrin by a combination of NMR, microcalorimetry and molecular modeling techniques (Investigation of the complexation of (+)-catechin by b-cyclodextrin by a combination of NMR, microcalorimetry and molecular modeling techniques). Organic and Biomolecular Chemistry. Royal Society of Chemistry, 2003, vol. 1, No 14, p. 2590-2595. ISSN 1477-0520.

KULHÁNEK, Petr and Jaroslav KOČA. NEMESIS - molecular modelling package. In Program of the CPMD 2003 conference. Manno, Switzerland: CPMD Group, 2003, p. 56-56.

KOČA, Jaroslav, Zdeněk KŘÍŽ, Martin LUDIN and Anne IMBERTY. Pokroky v počítačovém modelování interakcí dvou a více molekul. Příklady z oblasti cyklodextrinu. (Progresses in computer modeling of the interaction of two and more molecules. Examples from chemistry of cyclodextrin molecules.). In Chemické listy. Praha: Česká společnost chemická, 2003, p. 1113-1114.

KŘÍŽ, Zdeněk, Michal OTYEPKA and Jaroslav KOČA. Molecular Modeling of Peptides and Proteins at National Centre for Biomolecular Research (NCBR). In Materials Structure in Chemistry, Biology, Physics and Technology. Praha: 1. setkani ceskych a slovenskych strukturnich biologu, 2002, p. 41-42.

JANDERKA, Pavel. Molekulové modelování a teoretická chemie na PC (Molecular Modeling and Theoretical Chemistry on PC). Chemické listy. Praha: Česká společnost chemická, 2000, vol. 94, No 1, p. 28-38. ISSN 0009-2770.