Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Jan Kmuníček"'
Publikováno v:
Journal of Computer-Aided Molecular Design. 17:299-311
We evaluate the applicability of automated molecular docking techniques and quantum mechanical calculations to the construction of a set of structures of enzyme-substrate complexes for use in Comparative binding energy (COMBINE) analysis to obtain 3D
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3f8973b5cb1b6dc194a3a99fb2667cb4
https://doi.org/10.1023/a:1026159215220
https://doi.org/10.1023/a:1026159215220
Publikováno v:
Data Driven e-Science ISBN: 9781441980137
Free energy calculations tightly bind together experimental observations and computer-aided design through corresponding simulations at atomic level. Nowadays, free energy calculations represent a cornerstone for obtaining deeper insight into any bio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ba0c0c26314098986811046c2019bf36
https://doi.org/10.1007/978-1-4419-8014-4_35
https://doi.org/10.1007/978-1-4419-8014-4_35
Publikováno v:
Data Driven e-Science ISBN: 9781441980137
The EUAsiaGrid project has developed a Roadmap towards the establishment of a persistent and sustainable e-Infrastructure for research in the Asia- Pacific region. This paper describes its aims and context, the decisions make in its creation and outl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::31c3a6bb7379d45b680bd2386c8b33b5
https://doi.org/10.1007/978-1-4419-8014-4_9
https://doi.org/10.1007/978-1-4419-8014-4_9
Autor:
Eric Yen, Zora Střelcová, Daniel Kouřil, Petr Kulhánek, Jan Kmuníček, Luděk Matyska, Jaroslav Koča
Publikováno v:
Managed Grids and Cloud Systems in the Asia-Pacific Research Community ISBN: 9781441964687
The virtual organizations form a key concept for seamless utilization of all advanced features of available worldwide grid environments, the EGEE Grid in particular. However, apart from large, well organized user communities there is a substantial, n
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5078e156e70bd255e9a2adfe92d95644
https://doi.org/10.1007/978-1-4419-6469-4_22
https://doi.org/10.1007/978-1-4419-6469-4_22
Autor:
Kamila Hynková, Jan Kmuníček, Jirí Damborský, Tomáš Jedlička, Yuji Nagata, Andrea Negri, Federico Gago, Rebecca C. Wade
Publikováno v:
Biochemistry. 44(9)
Haloalkane dehalogenases are microbial enzymes that cleave a carbon-halogen bond in halogenated compounds. The haloalkane dehalogenase LinB, isolated from Sphingomonas paucimobilis UT26, is a broad-specificity enzyme. Fifty-five halogenated aliphatic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0e3335bd190ea6c0e3593ab69ac756af
https://pubmed.ncbi.nlm.nih.gov/15736949
https://pubmed.ncbi.nlm.nih.gov/15736949
Publikováno v:
ChemInform. 36
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::66cb7543bae3440e6cceb98499bc0a1b
https://doi.org/10.1002/chin.200507231
https://doi.org/10.1002/chin.200507231
Autor:
Aaron J. Oakley, Ivana Kutá-Smatanová, Yuji Nagata, Tomáš Jedlička, Matthew C.J. Wilce, Michal Boháč, Jiří Damborský, Zbyněk Prokop, Jan Kmuníček, Marta Monincová
Publikováno v:
Biochemistry. 41(15)
The hydrolysis of haloalkanes to their corresponding alcohols and inorganic halides is catalyzed by alpha/beta-hydrolases called haloalkane dehalogenases. The study of haloalkane dehalogenases is vital for the development of these enzymes if they are
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7b1109ded380d891dae37278ebaac4cf
https://pubmed.ncbi.nlm.nih.gov/11939779
https://pubmed.ncbi.nlm.nih.gov/11939779
Autor:
Luděk Matyska, Jiří Filipovič, Miroslav Ruda, S. Campana, Jan Kmuníček, Aleš Křenek, M Mulaš, Zdeněk Šustr, Jiri Chudoba, Emilio Molinari, D. Rebatto, Jiří Sitera, František Dvořák
Publikováno v:
Journal of Physics: Conference Series. 119:062034
Grid middleware stacks, including gLite, matured into the state of being able to process up to millions of jobs per day. Logging and Bookkeeping, the gLite job-tracking service, keeps pace with this rate; however, it is not designed to provide a long
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7f02e8b27298a0048251ca5cfe385fbc
https://doi.org/10.1088/1742-6596/119/6/062034
https://doi.org/10.1088/1742-6596/119/6/062034
Publikováno v:
Biochemistry. 40:11288-11288
Comparative binding energy (COMBINE) analysis was conducted for 18 substrates of the haloalkane dehalogenase from Xanthobacter autotrophicusGJ10 (DhlA): 1-chlorobutane, 1-chlorohexane, dichloromethane, 1,2-dichloroethane, 1,2-dichloropropane, 2-chlor
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d56852a8943fe179480d0122160b8a7b
https://doi.org/10.1021/bi015143s
https://doi.org/10.1021/bi015143s