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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
1192010
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
1161996
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
1091992
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
762004
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
761994
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
63*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
561994
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
492000
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
482007
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
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
302003
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
282018
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
Molecular dynamics study of the tautomeric equilibrium in the Mannich base
A Fedorowicz, J Mavri, P Bala, A Koll
Chemical physics letters 289 (5-6), 457-462, 1998
261998
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
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
232014
New Methods for Visualization and Improvement of Classification Schemes: The Case of Computer Science.
V Osińska, P Bala
Knowledge Organization 37 (3), 2010
232010
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