Jaroslav Koca

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12EEZuzana Jirousková, Radka Svobodová Vareková, Jakub Vanek, Jaroslav Koca: Software news and updates electronegativity equalization method: Parameterization and validation for organic molecules using the Merz-Kollman-Singh charge distribution scheme. Journal of Computational Chemistry 30(7): 1174-1178 (2009)
11EEMartin Prokop, Jan Adam, Zdenek Kríz, Michaela Wimmerová, Jaroslav Koca: TRITON: a graphical tool for ligand-binding protein engineering. Bioinformatics 24(17): 1955-1956 (2008)
10EERadka Svobodová Vareková, Jaroslav Koca: Optimized and parallelized implementation of the electronegativity equalization method and the atom-bond electronegativity equalization method. Journal of Computational Chemistry 27(3): 396-405 (2006)
9EEJaroslav Koca, Chang-Guo Zhan, Robert C. Rittenhouse, Rick L. Ornstein: Coordination number of zinc ions in the phosphotriesterase active site by molecular dynamics and quantum mechanics. Journal of Computational Chemistry 24(3): 368-378 (2003)
8 Martin Prokop, Jirí Damborský, Jaroslav Koca: TRITON: in silico construction of protein mutants and prediction of their activities. Bioinformatics 16(9): 845-846 (2000)
7EEMartin Cernohorský, Sofiane Kettou, Jaroslav Koca: VADER: New Software for Exploring Interconversions on Potential Energy Surfaces. Journal of Chemical Information and Computer Sciences 39(4): 705-712 (1999)
6EEMichal Kutý, Jirí Damborský, Martin Prokop, Jaroslav Koca: A Molecular Modeling Study of the Catalytic Mechanism of Haloalkane Dehalogenase. 2. Quantum Chemical Study of Complete Reaction Mechanism. Journal of Chemical Information and Computer Sciences 38(4): 736-741 (1998)
5EEMartin Cernohorský, Michal Kutý, Jaroslav Koca: A Multidimensional Driver for Quantum Chemistry Program MOPAC. Computers & Chemistry 21(1): 35-44 (1997)
4EEJirí Damborský, Michal Kutý, Miroslav Nemec, Jaroslav Koca: A Molecular Modeling Study of the Catalytic Mechanism of Haloalkane Dehalogenase: 1. Quantum Chemical Study of the First Reaction Step. Journal of Chemical Information and Computer Sciences 37(3): 562-568 (1997)
3 Jaroslav Koca, Serge Pérez, Anne Imberty: Conformational Analysis and Flexibility of Carbohydrates Using the CICADA Approach with MM3. Journal of Computational Chemistry 16(3): 296-310 (1995)
2 Ludek Matyska, Jaroslav Koca: D-CICADA : A Software for Confromational PES Elucidation on Network of Workstations. Journal of Computational Chemistry 15(9): 937-946 (1994)
1EELudek Matyska, Jaroslav Koca: MAPOS: a computer program for organic synthesis design based on synthon model of organic chemistry. Journal of Chemical Information and Computer Sciences 31(3): 380-386 (1991)

Coauthor Index

1Jan Adam [11]
2Martin Cernohorský [5] [7]
3Jirí Damborský [4] [6] [8]
4Anne Imberty [3]
5Zuzana Jirousková [12]
6Sofiane Kettou [7]
7Zdenek Kríz [11]
8Michal Kutý [4] [5] [6]
9Ludek Matyska [1] [2]
10Miroslav Nemec [4]
11Rick L. Ornstein [9]
12Serge Pérez [3]
13Martin Prokop [6] [8] [11]
14Robert C. Rittenhouse [9]
15Jakub Vanek [12]
16Radka Svobodová Vareková [10] [12]
17Michaela Wimmerová [11]
18Chang-Guo Zhan [9]

Colors in the list of coauthors

Copyright © Sun May 17 03:24:02 2009 by Michael Ley (ley@uni-trier.de)