Recent publications

1. W. Rudnicki, G. Bakalarski, B. Lesyng, A Mezoscopic Model of Nucleic Acids. Part 1. Lagrangian and Quaternion Molecular Dynamics, JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS  17(6) 2000, 1097-1108

2. M. Maciejczyk, W. Rudnicki, B. Lesyng, A Mezoscopic Model of Nucleic Acids. Part 2. An Effective Potential Energy Function for DNA,JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS 17(6) 2000,1109-1115

3. W. Rudnicki, M. Kurzepa, T. Szczepanik, B. Lesyng, A simple model for predicting the free energy of binding between anthracycline antibiotics and DNA, ACTA BIOCHIMICA POLONICA  47 (1)2000,1-9

4. P. Bała, P. Grochowski, K. Nowiński, B. Lesyng, J. McCammon, Quantum-DynamicalPicture of a Multi-Step Enzymatic Process. Reaction Catalyzed by Phospholipase A2,BIOPHYSICAL JOURNAL  79 (3)2000,1253-1262

5. K. Ginalski, C. Venclovas, B. Lesyng, K. Fidelis, Structure-based sequence alignment for the beta-trefoil subdomain of the clostridial neurotoxin family provides residue level information about the putative ganglioside binding site,FEBS LETTERS  482 2000,119-124

6. J. Antosiewicz, E. Błachut-Okrasińska, T. Grycuk, B. Lesyng A Correlation Between Protonation Equilibria in Biomolecular Systems and their Shapes: Studies Using a Poisson-Boltzmann Model, MATHEMATICAL SCIENCES AND APPLICATIONS, GAKUTO International Series,  14 2000, 11-17

7. K. Ginalski, P. Grochowski, B. Lesyng, Quantum-mechanical calculations of the potential energy function for the phosphate transfer in model systems   (2nd International Conference Inhibitors of Protein Kinases, September 9-15, 2001, Warsaw, Poland) CELLULAR & MOLECULAR BIOLOGY LETTERS  6 (2B),2001,549-549

8. M. Miller, K. Ginalski, B. Lesyng, N. Nakaigawa, L.Schmidt, B. Zbar, Structural basis of oncogenic activation caused by point mutations in the kinase domain of the MET proto-oncogene: Modeling studies. PROTEINS-STRUCTURE FUNCTION AND GENETICS 44,2001,32-43

9. P. Brodacki, K. Ginalski, B. Lesyng, Modelling the 3D structure of protein kinase C gamma and its interaction with specific Inhibitor, chelerythrine (2nd International Conference on Inhibitors of Protein Kinases, September 9-15, 2001, Warsaw, Poland) CELLULAR & MOLECULAR BIOLOGY LETTERS  6(2B),2001,548-548

10. M. Miller, K. Ginalski, B. Lesyng, N. Nakaigawa, L. Schmidt, B. Zbar, Onkogenic activation caused by point mutations in the kinase domain of the met proto-oncogene: Molecular modeling studies (2nd International Conference on Inhibitors of Protein Kinases, September 9-15, 2001, Warsaw, Poland) CELLULAR & MOLECULAR BIOLOGY LETTERS  6(2B), 2001,550-550

11. M. Wojciechowski, T. Grycuk, J. Antosiewicz, B. Lesyng, Prediction of protonation states of phosphotyrosine in short peptides and proteins (2nd International Conference on Inhibitors of Protein Kinases, September 9-15, 2001, Warsaw, Poland) CELLULAR & MOLECULAR BIOLOGY LETTERS vol. 6 (2B),2001,552-553

12. K. Ginalski, P. Grochowski, B. Lesyng, D. Shugar, DFT Calculations and Parameterization of the Approximate Valence Bond Method to Describe the Phosphoryl Transfer Reaction in a Model System, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 90,2002,1129-1139

13. M. Wojciechowski, T. Grycuk, J. Antosiewicz, B. Lesyng, Prediction of Secondary Ionization of the Phosphate Group in Phosphotyrosine Peptides,BIOPHYSICAL JOURNAL  84(2)2003,750-756

14. F. Rakowski, P.Grochowski, B. Lesyng, SCC DFT-TB Energy Calculations of the Phosphoryl Transfer Reaction in the PKA Active Site (3rd International Conference on Inhibitors of Protein Kinases, June 23-28, 2003, Warsaw, Poland) CELLULAR & MOLECULAR BIOLOGY LETTERS vol. 8 (2A)2003, 603-604

15. J. Leluk, B. Lesyng, A comparative study of the primary structures of protein and sugar kinases (3rd International       Conference on Inhibitors of Protein Kinases, June 23-28, 2003, Warsaw, Poland) CELLULAR & MOLECULAR BIOLOGY LETTERS vol. 8 (2A)2003, 620-621

16. B. Lesyng, P. Bała, D. Erwin, EUROGRID - European Computational Grid Testbed, JOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING  63 (5) 2003, 590-59617.

17. P. Grochowski, B. Lesyng, Extended Hellmann-Feynman Forces, Canonical Representations, and Exponential Propagators in the Mixed Quantum-Classical Molecular Dynamics,JOURNAL OF CHEMICAL PHYSICS  119 (22)2003,11541-11555

18. B. Lesyng & W. Rudnicki, Molecular Modelling in Drug Design, in "Optimization of Aerosol Drug Delivery", Kluwer, Dordrecht, pp.23-48, 2003; ISBN 1-4020-1651-4

19. J.A. Kalinowski, B. Lesyng, J.D. Thompson, C.J. Cramer, D.G. Truhlar, Class IV Charge Model for the Self-Consistent Charge Density-Functional Tight-Binding Method, JOURNAL OF PHYSICAL CHEMISTRY A, 108, 2004, 2545-2549

20. L.Walewski, P. Bala, M. Elstner, Th. Frauenheim and B. Lesyng, Fast QM/MM Method and Its Applicationto Molecular Systems, CHEMICAL PHYSICS LETTERS, 397,2004, 451-458

21. M.Wojciechowski, B.Lesyng, Generalized Born model: Analysis, refinement and applications to proteins, J. Phys. Chem. B, 108 (47), 18368 -18376, 2004.

22. A. Meglicz, J. Leluk, B. Lesyng,Classification and Characterization of Natural Protein Inhibitors of Protein Kinases Cellular & Molecular Biology Letters 10, Suppl 2, 2005,  137-138

23. A. Górecki, P. Bała, B. Lesyng, Parallelization of the Quantum Dynamics Code for Cluster Architecture and its Applications to the Gross-Pitaevskii Equation International Journal of Quantum Chemistry  104, 2005

24.  Ł. Walewski, P. Bała, M. Elstner, Th. Frauenheim, B. Lesyng, SCC-DFTB Energy Barriers for Single and Double Proton Transfer Processes in the Model Molecular Systems Malonaldehyde and Porphycyne International Journal of Quantum Chemistry, 104, 2005

25. A. Górecki, J. Leluk, B. Lesyng, Identification and Free Energy Simulations of Correlated Mutations in Proteins in: The Ninth Annual International Conference on Research in Computational Molecular Biology, RECOMB 2005, pp. 113-114, Cambridge MA, r. 2005

26. J. Kuśka, J. Leluk, B. Lesyng,Variability Patterns in Kinase Subfamilies, in: The Ninth Annual International Conference on Research in Computational Molecular Biology, RECOMB 2005, 183-184, Cambridge MA, 2005

27.  J. Kuśka, J. Leluk, B. Lesyng,The variability patterns in kinase subfamiles w: The International Conference  Sequence-Structure-Function Relationship; Theoretical and Experimental Approaches,  23-23, ICM UW, 2005

28.  A. Fogtman, J. Leluk, B. Lesyng, Konstrukcja sekwencji konsensusowych rodziny białek β-spektryn o różnych parametrach progowych oraz weryfikacja ich użyteczności , Ogólnopolska Konferencja Naukowa, 17-17,  2005

29.  J. Kuśka, J. Leluk, B. Lesyng, Zmienność mutacyjna w homologicznych rodzinach kinaz, Ogólnopolska Konferencja Naukowa, 20-20, 2005