2003

B. Lesyng, P. Bała, D. Erwin
EUROGRID-European computational grid testbed
Journal of Parallel and Distributed Computing 63(5) pp. 590-596
[Abstract] [PDF]

J. Pytliński, Ł. Skorwider, K. Benedyczak, M. Wroński, P. Bała, and V. Huber
Uniform Access to the Distributed Resources for the Computational Chemistry Using UNICORE
Computational Science - ICCS 2003
International Conference Melbourne, Australia and St. Petersburg, Russia, June 2-4, 2003. Proceedings, Part II
(Lecture Notes in Computer Science 2658)
Eds. P. M. A. Sloot, D. Abramson, A. V. Bogdanov, J. J. Dongarra, A. Y. Zomaya, Y. E. Gorbachev
Springer-Verlag 2003 pp. 307-315
[Abstract] [PDF]

2002

J. Trylska, P. Bala, M. Geller and P. Grochowski
Molecular Dynamics Simulations of the first steps of the reaction catalyzed by HIV1 Protease
Biophysical Journal 83(2) 294-807 (2002)
[Abstract] [PDF] [Full text]

J. Pytlinski, L. Skorwider, P. Bala, M. Nazaruk and K. Wawruch
BioGRID - uniform platform for biomolecular applications
Euro-Par 2002. Parallel Processing (Lecture Notes in Computer Science 2400)
Eds. B. Monien, R. Feldman
Springer-Verlag 2002 pp. 881-884
[Abstract] [PDF]

J. Pytlinski, L. Skorwider, V. Huber, P. Bala
UNICORE - An Uniform Platform for Chemistry on the Grid
Journal of Computational Methods in Science and Engineering 2 (3s-4s) pp. 369-376
[Abstract]

A. Nowinski, K. Nowinski, P. Bala
Web based system for wavepacket dynamics
Lecture Notes in Computer Science 2329
Eds. P. M. A. Sloot, C. J. Kenneth Tan, J. J. Dongarra, A. G. Hoekstra
Springer-Verlag 2002 pp. 552-561
[Abstract] [PDF]

2001

R. Metkowski, P. Bala, T. Clark
The performance of different communication mechanisms and algorithms used for parallelization of Molecular Dynamics code.
Lecture Notes in Computer Science Eds. R. Wyrzykowski, J. Dongara, M. Paprzycki, J. Wasniewski Springer-Verlag Berlin 2002, pp. 154-161
[Abstract]

P. Bała, T. W. Clark, L. R. Scott
Application of Pfortran and Co-Array Fortran in the Parallelization of the GROMOS96 Molecular Dynamics Module
Scientific programming 9(1) 61-68 (2001)
[Abstract]

2000

P. Bała, P. Grochowski, B. Lesyng, J. A. McCammon
New Developments in Quantum-Classical Molecular Dynamics. Applications to Enzymatic Reactions
Biophysical Journal 79(3) 1253-1262 (2000)
[Abstract]   [PDF]

P. Bała, T. W. Clark
Pfortran and Co-Array Fortran-Tools for Parallelization of a Large Scale Scientific Application
Lecture Notes in Computer Science 1900 Eds. A. Bode, T. Ludwig, W. Karl, R. Wismüller, Springer 2000 pp. 511-519
[Abstract]   [PDF]

1999

P. Bała, T. W. Clark
Experience with Co-Array Fortran and Pfortran as Tools for Parallelization of a Large-Scale Scientific Application
Proceedings of the Third International Conference on Parallel Processing and Applied Mathematics. Eds.: R. Wyrzykowski, B. Mochnacki, H. Piech and J. Szopa, Częstochowa 1999, pp, 367-377

P. Bała, M. Geller, K. Ginalski, P. Grochowski, J. Trylska and B. Lesyng
Approximate Valence Bond method - a fast generator of quantum potentials for molecular simulations
In: Modelling and Simulation: A tool for next millenium, Ed. H. Szczerbicka, Society for Computer Simulation International, Delft 1999, pp. 181--183,

P. Bała, T. W. Clark, P. Grochowski, B. Lesyng, K. Nowiński and J. A. McCammon
Advanced simulations and visualization of enzymatic reactions using a combined Quantum-Classical Molecular Dynamics code.
In: Recent Advances in Applied Parallel Computing, Lecture Notes in Computer Science 1541, Eds.: B. Kagstrom, J. Dongarra, E. Elmroth and Waśniewski, J., Springer-Verlag Berlin 1999, pp. 20-27,