Výpis publikací

KMUNÍČEK, Jan, Zora STŘELCOVÁ a Petr KULHÁNEK. Applicability of Free Energy Calculations using High-Throughput Grid Approach. In Proceedings of International Symposium on Grid Computing (ISGC) 2010. 2010.

KMUNÍČEK, Jan, Daniel KOUŘIL, Luděk MATYSKA, Zora STŘELCOVÁ, Petr KULHÁNEK, Jaroslav KOČA a Eric YEN. Catch-All Virtual Organizations - Solution for Heterogeneous and Disperse Grid Users Communities. In Lin, S. C.; Yen, E. Managed Grids and Cloud Systems in the Asia-Pacific Research Community. New York: Springer, 2010, s. 299-309. ISBN 978-1-4419-6468-7. Dostupné z: https://dx.doi.org/10.1007/978-1-4419-6469-4_22.

ŠTĚPÁN, Jakub, Petr KULHÁNEK, Zdeněk KŘÍŽ, Jan KMUNÍČEK, Jaroslav KOČA a Luděk MATYSKA. grid-CICADA: Efficient Explorer of Conformational Space of Biomolecular Systems. In 5th EGEE User Forum. 2010.

KMUNÍČEK, Jan, Martin KUBA, Ivana KŘENKOVÁ a David ANTOŠ. MetaCentrum—e-Infrastructure for Computational and Data Challenges. Nové Hrady, 2010.

STŘELCOVÁ, Zora, Petr KULHÁNEK, Jan KMUNÍČEK, Jaroslav KOČA a Luděk MATYSKA. Implementation and Testing of Multiple Walkers Approach Based Free Energy Calculations in the Grid Environment. In GCCP Proceedings. Bratislava, Slovakia: Institute of Informatics SAS, 2009, s. 29-36, 7 s. ISBN 978-80-970145-1-3.

STŘELCOVÁ, Zora, Petr KULHÁNEK, Jan KMUNÍČEK, Jaroslav KOČA a Luděk MATYSKA. Large-Scale Free Energy Calculations as Showcase of Worldwide Grid Usability. In 4th EGEE User Forum/OGF 25 and OGF Europe's 2nd International Event. 2009.

PLŠEK, Vítězslav, Jan KMUNÍČEK a Martin KUBA. A Graphical Frontend to Key Services for Utilization of Grid Environments: A CharonGUI Use Case. In 4th International Workshop on Grid Computing for Complex Problems (GCCP 2008). Bratislava, Slovakia: Institute of Informatics, Slovak Academy of Sciences, 2008, s. 28-35. ISBN 978-80-969202-9-7.

SCHOVANCOVÁ, Jaroslava, Jiří CHUDOBA, František DVOŘÁK, Jiří FILIPOVIČ, Jan KMUNÍČEK, Aleš KŘENEK, Luděk MATYSKA, Miloš MILAČ, Miroslav RUDA, Zdeněk SALVET, Jiří SITERA, Zdeněk ŠUSTR a Petr TRÁVNÍČEK. Experience with Large Scale Simulations on the EGEE Grid for the AUGER collaboration. In Proceedings of the Third Conference of the EELA Project. Catania, Itálie: CIEMAT, 2008, s. 283-291, 8 s. ISBN 978-84-7834-565-6.

KŘENEK, Aleš, Jiří SITERA, Jiří CHUDOBA, František DVOŘÁK, Jiří FILIPOVIČ, Jan KMUNÍČEK, Luděk MATYSKA, Miloš MULAČ, Miroslav RUDA, Zdeněk ŠUSTR, Simone CAMPANA, Elizabetta MOLINARI a David REBATTO. Experimental evaluation of job provenance in ATLAS environment. In Journal of Physics: Conference Series. Bristol, Great Britain, 2008, s. 1-9.

KMUNÍČEK, Jan, Martin KUBA, Vítězslav PLŠEK a Luděk MATYSKA. Charon GUI: Feature Rich Interface to Distinct Grid Niches. In 3rd EGEE User Forum, Clermont-Ferrand, France. 2008.

KMUNÍČEK, Jan a Daniel KOUŘIL. Central European Grid Infrastructure for Generic Applications. In 2nd Austrian Grid Symposium. Innsbruck, Austria: Ossterreichische Computer Gesellschaft, 2007, s. 131-142.

KMUNÍČEK, Jan, Vítězslav PLŠEK a Martin KUBA. Graphical User Interface for Charon Extension Layer System and Application Dashboards. In Computational Chemistry Workshop, d'Orsay, Paris, France. 2007.

ŠUSTR, Zdeněk, Aleš KŘENEK, Martin PETŘEK, Jiří FILIPOVIČ, Jan KMUNÍČEK, Jiří WIESNER, Jiří SITERA, František DVOŘÁK a Luděk MATYSKA. Multiple Ligand Trajectory Docking Study: Semiautomatic Analysis of Molecular Dynamics Simulations Using EGEE gLite Services. In Proceedings of the 16th Euromicro Conference on Parallel, Distributed and Network-based Processing. Toulouse, France: IEEE CPS, 2007, s. 447-454. ISBN 978-0-7695-3089-5.

PETŘEK, Martin, Jan KMUNÍČEK a Petr KULHÁNEK. Computational Chemistry Achievements within VOCE Environment. Geneva, Switzerland, 2006.

KOUŘIL, Daniel a Jan KMUNÍČEK. Do Gridu snadno a rychle - prostředí VOCE. Zpravodaj ÚVT MU. Brno: Masarykova univerzita, 2006, roč. 16, č. 3, s. 6-9. ISSN 1212-0901.

KMUNÍČEK, Jan, Martin PETŘEK a Petr KULHÁNEK. Charon Extension Layer - Universal Toolkit for Grid Applications and Computational Jobs Maintenance. Krakow, Poland: CRW06, 2006.

KMUNÍČEK, Jan, Daniel KOUŘIL a Luděk MATYSKA. VOCE - Central European Production Grid Service. Geneve, Switzerland: EGEE User Forum, 2006. Poster session.

CHUDOBA, Jiří, Lukáš FIALA, Jan KMUNÍČEK, Jiří KOSINA, Daniel KOUŘIL, Miloš LOKAJÍČEK, Luděk MATYSKA, Miroslav RUDA a Jan ŠVEC. VOCE---A Grid Environment for Central Europe. In Proceedings of the Cracow Grid Workshop 2005. Cracow: Academic Computer Center CYFRONET AGH, Cracow, Poland, 2006, s. 322-328. ISBN 83-915141-5-3.

KULHÁNEK, Petr, Martin PETŘEK a Jan KMUNÍČEK. CHARON System - A Framework for Comfortable Grid Applications & Jobs Management. Pisa, 2005.

KMUNÍČEK, Jan, Petr KULHÁNEK a Martin PETŘEK. CHARON System - Framework for Applications and Jobs Management in Grid Environment. In Cracow Grid Workshop 05. Cracow: Academic Computer Center CYFRONET AGH, Cracow, Poland, 2005, s. 332-340. ISBN 83-915141-5-3.

KMUNÍČEK, Jan, Kamila HYNKOVÁ, Tomáš JEDLIČKA, Yuji NAGATA, Ana NEGRI, Frederico GAGO, Rebecca WADE a Jiří DAMBORSKÝ. Quantitative Analysis of Substrate Specificity of Haloalkane Dehalogenase LinB from Sphingomonas paucimobilis UT26. Biochemistry. 2005, roč. 9, č. 44, s. 3390-3401. ISSN 0006-2960.

DOBES, Petr, Jan KMUNÍČEK, Vladimír MIKEŠ a Jiří DAMBORSKÝ. Binding of Fatty Acids to b-Cryptogein: Quantitative Structure-Activity Relationships and Design of Selective Protein Mutants. Journal of Chemical Information and Modeling. USA, 2004, roč. 44-6, č. 44, s. 2126-2132. ISSN 1549-960X.

KMUNÍČEK, Jan, Michal BOHÁČ, Santos LUENGO, Federico GAGO, Rebecca WADE a Jiří DAMBORSKÝ. Comparative binding energy analysis of haloalkane dehalogenase substrates: modelling of enzyme-substrate complexes by molecular docking and quantum mechanical calculations. Journal of Computer-Aided Molecular Design. 2003, roč. 17, č. 5, s. 299-311. ISSN 0920-654X.

DAMBORSKÝ, Jiří, Jan KMUNÍČEK, Tomáš JEDLIČKA, Santos LUENGO, Federico GAGO, Angel R. ORTIZ a Rebecca C. WADE. Rational re-design of haloalkane dehalogenases guided by comparative binding energy analysis. In Enzyme Functionality: Design, Engineering and Screening. New York, USA: Marcel Decker, 2003, s. 79-96. Protein Structure.

OAKLEY, Aaron, Zbyněk PROKOP, Michal BOHÁČ, Jan KMUNÍČEK, Tomáš JEDLIČKA, Marta MONINCOVÁ, Ivana KUTÁ-SMATANOVÁ, Yuji NAGATA, Jiří DAMBORSKÝ a Matthew WILCE. Exploring the structure and activity of haloalkane dehalogenase from Sphingomonas paucimobilis UT26: evidence for product and water mediated inhibition. Biochemistry. 2002, roč. 41, č. 15, s. 4847-4855. ISSN 0006-2960.

KMUNÍČEK, Jan, Santos LUENGO, Federico GAGO, Angel Ramirez ORTIZ, Rebecca WADE a Jiří DAMBORSKÝ. Comparative binding energy (COMBINE) analysis of the substrate specificity of haloalkane dehalogenase from Xanthobacter autotrophicus GJ10. Biochemistry. 2001, roč. 40, č. 30, s. 8905-8917. ISSN 0006-2960.