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Piotr Bała
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UNICORE 6 - Recent and Future Advancements
A STREIT, P BALA, A BECK-RATZKA, K BENEDYCZAK, S BERGMANN, ...
Annales des télécommunications 65 (11-12), 757-762, 2010
1182010
Quantum-classical molecular dynamics simulations of proton transfer processes in molecular complexes and in enzymes
P Bala, P Grochowski, B Lesyng, JA McCammon
The Journal of Physical Chemistry 100 (7), 2535-2545, 1996
1141996
A comparative study of time dependent quantum mechanical wave packet evolution methods
TN Truong, JJ Tanner, P Bala, JA McCammon, DJ Kouri, B Lesyng, ...
The Journal of chemical physics 96 (3), 2077, 1992
1041992
Large scale protein sequence alignment using FPGA reprogrammable logic devices
S Dydel, P Bała
International Conference on Field Programmable Logic and Applications, 23-32, 2004
782004
Applications of quantum-classical and quantum-stochastic molecular dynamics simulations for proton transfer processes
P Bala, B Lesyng, JA McCammon
Chemical physics 180 (2-3), 271-285, 1994
751994
Density functional based parametrization of a valence bond method and its applications in quantum‐classical molecular dynamics simulations of enzymatic reactions
P Grochowski, B Lesyng, P Bała, JA McCammon
International journal of quantum chemistry 60 (6), 1143-1164, 1996
691996
Quantum-classical Molecular Dynamics: Models and Applications
P Bala, P Grochowski, B Lesyng, JA McCammon
Quantum mechanical simulation methods for studying biological systems, 119, 1995
61*1995
Extended Hellmann-Feynman theorem for non-stationary states and its application in quantum-classical molecular dynamics simulations
P Bala, B Lesyng, JA McCammon
Chemical Physics Letters 219 (3-4), 259-266, 1994
551994
Quantum-dynamical picture of a multistep enzymatic process: reaction catalyzed by phospholipase A2
P Bala, P Grochowski, K Nowinski, B Lesyng, JA McCammon
Biophysical Journal 79 (3), 1253-1262, 2000
502000
Chemomentum-UNICORE 6 based infrastructure for complex applications in science and technology
B Schuller, B Demuth, H Mix, K Rasch, M Romberg, S Sild, U Maran, ...
Euro-Par 2007 Workshops: Parallel Processing, 82-93, 2007
492007
Gridbeans: Support e-science and grid applications
R Ratering, A Lukichev, M Riedel, D Mallmann, A Vanni, C Cacciari, ...
2006 Second IEEE International Conference on e-Science and Grid Computing (e …, 2006
432006
Machine Learning for detection of viral sequences in human metagenomic datasets
Z Bzhalava, A Tampuu, P Bała, R Vicente, J Dillner
BMC Bioinformatics 19 (1), 336, 2018
342018
Key aspects of the UNICORE 6 security model
K Benedyczak, P Bała, S van den Berghe, R Menday, B Schuller
Future Generation Computer Systems 27 (2), 195-201, 2011
312011
EUROGRID—European computational grid testbed
B Lesyng, P Bała, D Erwin
Journal of parallel and distributed computing 63 (5), 590-596, 2003
292003
Heteroplasmic substitutions in the entire mitochondrial genomes of human colon cells detected by ultra-deep 454 sequencing
K Skonieczna, B Malyarchuk, A Jawień, A Marszałek, Z Banaszkiewicz, ...
Forensic Science International: Genetics 15, 16-20, 2015
272015
Molecular dynamics simulations of the first steps of the reaction catalyzed by HIV-1 protease
J Trylska, P Bała, M Geller, P Grochowski
Biophysical journal 83 (2), 794-807, 2002
262002
New methods for visualization and improvement of classification schemes: the case of computer science
V Osińska, P Bala
KO KNOWLEDGE ORGANIZATION 37 (3), 157-172, 2010
252010
Massively Parallel Implementation of Sequence Alignment with Basic Local Alignment Search Tool Using Parallel Computing in Java Library
M Nowicki, D Bzhalava, P Bała
Journal of Computational Biology, 2018
242018
PCJ – Java library for high performance computing in PGAS model.
M Nowicki, Ł Górski, P Grabarczyk, P Bała
Proceedings of the 2014 International Conference on High Performance …, 2014
242014
SCC‐DFTB energy barriers for single and double proton transfer processes in the model molecular systems malonaldehyde and porphycene
Ł Walewski, D Krachtus, S Fischer, JC Smith, P Bała, B Lesyng
International journal of quantum chemistry 106 (3), 636-640, 2006
242006
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Artikelen 1–20