| ||
| 26. | Symplectic Algorithms of Molecular Dynamics. An Application to the United-Residue Model
w: NIC Workshop, From Computational Biophysics to Systems Biology (CBSB06), str. ISBN 3-9810843-0-6 / 181-184, J. Meinke, O. Zimmermann, S. Mohanty, U.H.E. Hansmann, r. 2006 (Artykuł) Franciszek Rakowski, Paweł Grochowski, Adam Liwo, Harold Scheraga | |
| 27. | Sympletic Algorithms of Molecular Dynamics. An Application to the United-Residue Model.
w: NIC Workshop 2006 from Computational Biophysics to Systems Biology 2006, str. 181-184, NIC-Directors, r. 2006 (Artykuł konferencyjny) Franciszek Rakowski, Paweł Grochowski, Bogdan Lesyng, Adam Liwo, Harold Scheraga | |
| 28. | Canonical Representations and Efficient Propagations Schemes for Quantum-Gaussian-Classical Dynamical Models
w: 227th ACS Natiional Meeting, Anaheim, CA , March 28 - April 1, 2004, str. 315-315, American Chemical Society, Division of Physical Chemistry, r. 2004 (Komunikat) Paweł Grochowski, Bogdan Lesyng | |
| 29. | Helmann-Feynman Forces and Symplectic Propagation Schemes for Quantum-Classical Molecular Dynamics
w: Multiscale Computational Models for Biomedical Research, University of California San Diego, March 25-27, 2004 - Poster Abstracts, str. 4-5, University of California, r. 2004 (Komunikat) Paweł Grochowski, Bogdan Lesyng | |
| 30. | Quantum-Classical Molecular Dynamics Simulations in the Studies of the Reaction Catalyzed by HIV-1 Protease
w: SYMULACJA W BADANIACH I ROZWOJU, Zbiór Referatów IX Warsztatów Naukowych PTSK, Koszalin-Osieki, 28-31.08.2002, str. 269-276, Polskie Towarzystwo Symulacji Komputerowej, r. 2003 (Artykuł) Joanna Trylska, Piotr Bała, Maciej Geller, Paweł Grochowski | |
| 31. | Developing and Testing of Quantum-Gaussian Dynamics for Future Simulations of Enzymatic Processes
w: XIV International Biophysics Congress - Abstracts, str. 68-68, International Union for Pure and Applied Biophysics, Sociedad Argentina de Biofisica, r. 2002 (Komunikat) Paweł Grochowski, Bogdan Lesyng | |
| 32. | Quantum-classical Molecular Dynamics Simulations of the First Steps of the Reaction Catalyzed by HIV-1 Protease
w: IUPAB XIVth International Biophysics Congress, 27.04-01-05, Buenos Aires Argentina, str. POST09-07 / 61-61, r. 2002 (Artykuł) Joanna Trylska, Piotr Bała, Maciej Geller, Paweł Grochowski | |
| 33. | Quantum-Mechanical Studies of Phosphate Transfer Reactions
w: XIV International Biophysics Congress - Abstracts, str. 67-68, International Union for Pure and Applied Biophysics, Sociedad Argentina de Biofisica, r. 2002 (Komunikat) Krzysztof Ginalski, Paweł Grochowski, Franciszek Rakowski, Bogdan Lesyng | |
| 34. | Extended Parametrization and Applications of an Approximate Valence Bond Method
w: Conference: Computational Biophysics 2000, Nice, 13-15 June 2000, str. P36-P36, r. 2000 (Komunikat) Paweł Grochowski, Joanna Trylska, Piotr Bała, Krzysztof Ginalski, Maciej Geller, Bogdan Lesyng | |
| 35. | Parameterization of the Approximate Valence Bond Method for MD/ AVB Simulations of the Reaction Catalyzed by HIV-1 Protease
w: Symulacje MD w Polsce, str. P14-P14, Politechnika Gdańska, TASK, r. 2000 (Komunikat) Joanna Trylska, Paweł Grochowski, Piotr Bała, Maciej Geller | |
| 36. | Parametrization of an Approximate Valence Bond Method for MD/ AVB Simulations of the Reaction of HIV-1 Protease
w: International Conference on Conformation of Peptides, Proteins and Nucleic Acids - Book of Abstracts, str. 76-76, Uniwersytet Gdański, r. 2000 (Komunikat) Joanna Trylska, Paweł Grochowski, Piotr Bała, Maciej Geller | |
| 37. | Approximate Valence Bond Method - A Fast Generator of Quantum Potentials for Molecular Simulations
w: Modelling and Simulation: A Tool for the Next Millenium, 13th European Simulation Multiconference, June 1-4, 1999, Warsaw, Poland, str. 181-183, Society for Computer Simulation International, r. 1999 (Komunikat) Piotr Bala, Maciej Geller, Krzysztof Ginalski, Paweł Grochowski, Joanna Trylska, Bogdan Lesyng | |
| 38. | Biblioteki wirtualne. Fikcja czy rzeczywistość następnego stulecia
w: INFOBAZY, str. 25-38, r. 1999 (Artykuł konferencyjny) Paweł Grochowski, Bogdan Lesyng, Piotr Bala | |
| 39. | DFT-Based Parametrization of an Approximate Valence Bond (AVB) Method for Transphosphorylation Processes
w: 5th International Conference: Computers in Chemistry, str. P25-P25, ., r. 1999 (Komunikat) Krzysztof Ginalski, Paweł Grochowski, Bogdan Lesyng | |
| 40. | Parameterization of an approximate valence bond (AVB) method to describe potential energy surface in the reaction catalysed by HIV-1 protease
w: Vth International Conference Computers in Chemistry. Proceedings. 1-6.07.1999 Szklarska Poręba, str. P82 / 1-1, r. 1999 (Komunikat) Joanna Trylska, Paweł Grochowski, Maciej Geller | |
| 41. | QCMD/ AVB and MD/ AVB Models - Tools for studying enzymatic reactions
w: 5th International Conference: Computers in Chemistry, str. 5-5, ., r. 1999 (Komunikat) Piotr Bala, Paweł Grochowski, Krzysztof Nowiński, Bogdan Lesyng | |
| 42. | Recent Developments in QCMD/ AVB and MD/ AVB as a Tool for Studying Proton Transfer Processes in Enzymatic Reactions
w: 13th International Conference - Workshop: Horizons in Hydrogen Bond Research, September 2-9, 1999, wieradów Zdrój, str. P4-P4, ., r. 1999 (Komunikat) Piotr Bala, Paweł Grochowski, Krzysztof Nowiński, Bogdan Lesyng | |
| 43. | Density Functional Based Parametrization of an Approximate Valence Bond Method for QCMD/ AVB Simulations of Enzymatic Reaction of HIV-1 Protease
w: Molecular Structure and Dynamics in Biology, str. 91-91, r. 1998 (Komunikat) Joanna Trylska, Paweł Grochowski, Piotr Bała, Maciej Geller | |
| 44. | Quantum-Classical Molecular Dynamics. Models and Biological Applications
w: Molecular Structure and Dynamics in Biology, str. 24-24, r. 1998 (Komunikat) Piotr Bala, Paweł Grochowski, Bogdan Lesyng, J McCammon | |
| 45. | Parallel Version of a Quantum-Classical Molecular Dynamics Code for Complex Molecular and Biomolecular systems
w: Lecture Notes in Computer Science, str. 409-416, Springer, r. 1997 (Artykuł) Piotr Bala, T Clark, Paweł Grochowski, Bogdan Lesyng, J McCammon | |
| 46. | Recent Advances in Parallel Virtual Machine and Message Passing Interface
w: Parallel Version of the Combined Quantum Classical Molecular Dynamics Code for Complex Molecular and Biomolecular Systems, str. 1-1, Springer-Verlag, r. 1997 (Artykuł) Piotr Bala, T Clark, Paweł Grochowski, Bogdan Lesyng, J McCammon | |
| 47. | Quantum Mechanical Simulation Methods for Studying Biological System
w: Quantum-Classical Molecular Dynamics. Models and Applications, str. 119-156, Springer-Verlag, r. 1995 (Esej lub rozdział w książce) Piotr Bała, Paweł Grochowski, Bogdan Lesyng, J McCammon | |