Filter publications
-
STŘELCOVÁ, Zora, Petr KULHÁNEK, Jan KMUNÍČEK, Jaroslav KOČA and 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.
Name in Czech: Large-Scale Free Energy Calculations as Showcase of Worldwide Grid Usability
Biochemistry. English. Czech Republic.
Keywords in English: voce;charon;free energy;multiple walker approach;adaptive biasing force method;supramolecular chemistry;pseudorotaxanes
Type of participation: active participation (giving a lecture, organization, etc.)
International impact: yes
Changed by: prof. RNDr. Jaroslav Koča, DrSc., učo 610. Changed: 10/4/2010 11:11. -
PETŘEK, Martin, Petr KULHÁNEK and Jaroslav KOČA. Implementation and Application of Methods for Free Energy Calculation. In Sborník abstraktů studentské vědecká konference "Biofyzika makromolekul". Brno: Biofyzikální ústav AV ČR a Přírodovědecká fakulta MU, 2005, p. 15.
Name in Czech: Implementace a aplikace metod pro výpočet volné energie
Name (in English): Implementation and Application of Methods for Free Energy Calculation
RIV/00216224:14330/05:00013094 Proceedings paper. Physical chemistry and theoretical chemistry. English. Czech Republic.
Petřek, Martin (203 Czech Republic) -- Kulhánek, Petr (203 Czech Republic, guarantor) -- Koča, Jaroslav (203 Czech Republic)
Keywords in English: free energy; bluemoon; umbrella; wham; adaptive biasing force
Changed by: RNDr. JUDr. Vladimír Šmíd, CSc., učo 1084. Changed: 27/4/2006 20:06. -
FADRNÁ, Eva, Jaroslav KOČA and Jiří ŠPONER. Influence of Ion Parameters On Molecular Dynamics and/or Free Energy Calculation (Influence of Ion Parameters On Molecular Dynamics and/or Free Energy Calculatio). In Workshop on Modelling interactions in Biomolecules II. Praha: Karlova Univerzita Praha, 2005, p. O, 1 pp.
Name in Czech: Vliv parametrů iontů na výpočet molekulové dynamiky a/nebo volné energie
Name (in English): Influence of Ion Parameters On Molecular Dynamics and/or Free Energy Calculatio
RIV/00216224:14310/05:00014159 Proceedings paper. Biophysics. English. Czech Republic.
Fadrná, Eva (203 Czech Republic, guarantor) -- Koča, Jaroslav (203 Czech Republic) -- Šponer, Jiří (203 Czech Republic)
Keywords in English: molecular dynamics simulations; human telomere; free energy
Changed by: Mgr. Eva Fadrná, Ph.D., učo 1573. Changed: 18/11/2005 12:44. -
FADRNÁ, Eva, Naděžda ŠPAČKOVÁ, Jaroslav KOČA, Thomas E. CHEATHAM III and Jiří ŠPONER. Guanine Quadruplex Loops Studied by Molecular Mechanics and Dynamics Tools: Advances and Force Fields Limitations. In Materials Structure in Chemistry, Biology, Physics and Technology. 2004th ed. Praha: 3. Setkání strukturních biologů, 2004, p. 44.
Name in Czech: Guanine Quadruplex Loops Studied by Molecular Mechanics and Dynamics Tools: Advances and Force Fields Limitations
Name (in English): Guanine Quadruplex Loops Studied by Molecular Mechanics and Dynamics Tools: Advances and Force Fields Limitations
RIV/00216224:14310/04:00009960 Proceedings paper. Biophysics. Czech. Czech Republic.
Fadrná, Eva (203 Czech Republic, guarantor) -- Špačková, Naděžda (203 Czech Republic) -- Koča, Jaroslav (203 Czech Republic) -- Cheatham III, Thomas E. (840 United States of America) -- Šponer, Jiří (203 Czech Republic)
Keywords in English: structure; dynamics; G-DNA; free energy
Changed by: Mgr. Eva Fadrná, Ph.D., učo 1573. Changed: 14/2/2005 11:50. -
FADRNÁ, Eva, Naděžda ŠPAČKOVÁ, Jaroslav KOČA and Jiří ŠPONER. Struktura a interakce nukleových kyselin pohledem molekulové dynamiky (Structure and dynamics of nucleic acids in a framework of molecular dynamics). In sborník konference. 2004th ed. Pardubice: XXVII. Konference organických chemiků, 2004, p. 07-9. ISBN 80-7194-671-0.
Name in Czech: Struktura a interakce nukleových kyselin pohledem molekulové dynamiky
Name (in English): Structure and dynamics of nucleic acids in a framework of molecular dynamics
RIV/00216224:14310/04:00010516 Proceedings paper. Biophysics. Czech. Czech Republic.
Fadrná, Eva (203 Czech Republic, guarantor) -- Špačková, Naděžda (203 Czech Republic) -- Koča, Jaroslav (203 Czech Republic) -- Šponer, Jiří (203 Czech Republic)
Keywords in English: structure; dynamics; G-DNA; free energy
Changed by: Mgr. Eva Fadrná, Ph.D., učo 1573. Changed: 25/6/2008 11:15. -
NAVRÁTILOVÁ, Hana, René DE GELDER and Zdeněk KŘÍŽ. Enantiodiscrimination in NMR spectra and X-ray structures of diastereomeric salts of trans-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine with (S)-Mosher acid. J. Chem. Soc. Perkin Trans. 2. Cambridge, U.K.: Royal Society of Chemistry, 2002, vol. 2002, No 12, p. 2093-2099. ISSN 1472-779X.
Name (in English): Enantiodiscrimination in NMR spectra and X-ray structures of diastereomeric salts of trans-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine with (S)-Mosher acid
RIV/00216224:14310/02:00007020 Article in a journal. Organic chemistry. English. Czech Republic.
Navrátilová, Hana (203 Czech Republic, guarantor) -- de Gelder, René (528 Netherlands) -- Kříž, Zdeněk (203 Czech Republic)
Keywords in English: enantiodiscrimination; (S)-Mosher acid; NMR; diastereomeric salts;free energy;
Changed by: RNDr. Hana Navrátilová, Ph.D., učo 17605. Changed: 14/5/2003 14:38.
2009
2005
2004
2002
Displayed: 22/5/2024 12:21