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| 1. | Continuum molecular electrostatics, salt effects, and counterion binding - A review of the Poisson-Boltzmann theory and its modifications
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BIOPOLYMERS Tom 89 Nr 2 r. 2008, str. 93-113 (Artykuł) Paweł Grochowski, Joanna Trylska | |
| 2. | Rotational symmetry of the molecular potential energy in the Cartesian coordinates
THEORETICAL CHEMISTRY ACCOUNTS Tom 121 r. 2008, str. 257-266 (Artykuł) Paweł Grochowski | |
| 3. | The Poisson-Boltzmann model for tRNA: Assessment of the calculation set-up and ionic concentration cutoff
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JOURNAL OF COMPUTATIONAL CHEMISTRY Tom 29 Nr 12 r. 2008, str. 1970-1981 (Artykuł) Magdalena Gruziel, Paweł Grochowski, Joanna Trylska | |
| 4. | Implementation of a symplectic multiple-time-step molecular dunamics algorithm, based on the united-residue mesoscopic potential energy function
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JOURNAL OF CHEMICAL PHYSICS Tom 125 Nr 20 r. 2006, str. 204107 / 1-10 (Artykuł) Franciszek Rakowski, Paweł Grochowski, Bogdan Lesyng, Adam Liwo, Harold Scheraga | |
| 5. | Molecular Dynamics with the United-Residue Model of Polypeptide Chains. I. Lagrange Equations of Motion and Tests Of Numerical Stability in the Microcanonical Mode
JOURNAL OF PHYSICAL CHEMISTRY B Tom 1 r. 2005, str. 1-1 (Artykuł) M Khalili, A Liwo, Franciszek Rakowski, Paweł Grochowski, H Scheraga | |
| 6. | The role of hydrogen bonding in the enzymatic reaction catalyzed by HIV-1 protease
PROTEIN SCIENCE Tom 13 r. 2004, str. 513-528 (Artykuł) Joanna Trylska, Paweł Grochowski, J McCammon | |
| 7. | Extended Hellmann-Feynman forces, canonical representations, and exponential propagators in the mixed quantum-classical molecular dynamics
JOURNAL OF CHEMICAL PHYSICS Tom 119 Nr 22 r. 2003, str. 11541-11555 (Artykuł) Paweł Grochowski, Bogdan Lesyng | |
| 8. | Quantum and Quantum-Classical Sudies of Phosphoryl-Transfer Mechanisms in Model Systems
CELLULAR & MOLECULAR BIOLOGY LETTERS Tom 8 Nr 2A r. 2003, str. 617-618 (Komunikat) Paweł Grochowski | |
| 9. | SCC DFT-TB energy calculations of the phosphoryl transfer reaction in the PKA active site
CELLULAR & MOLECULAR BIOLOGY LETTERS Tom 8 Nr 2A r. 2003, str. 603-604 (Inne) Franciszek Rakowski, Paweł Grochowski, Bogdan Lesyng | |
| 10. | DFT calculations and parametrization of the approximate Valence Bond method to describe the phosphoryl transfer reaction in a model system
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY Tom 90 r. 2002, str. 1129-1139 (Artykuł) Krzysztof Ginalski, Paweł Grochowski, Bogdan Lesyng, David Shugar | |
| 11. | Molecular Dynamics Simulations of the First Steps of the Reaction Catalyzed by HIV-1 Protease
BIOPHYSICAL JOURNAL Tom 83 Nr 2 r. 2002, str. 794-807 (Artykuł) Joanna Trylska, Piotr Bala, Maciej Geller, Paweł Grochowski | |
| 12. | Parametrization of the Approximate Valence Bond (AVB) Method to Describe Potential Energy Surface in the Reaction Catalyzed by HIV-1 Protease
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY Tom 82 Nr 2 r. 2001, str. 86-103 (Artykuł) Joanna Trylska, Paweł Grochowski, Maciej Geller | |
| 13. | Quantum-mechanical calculations of the potential energy function for the phosphate transfer in model systems
CELLULAR & MOLECULAR BIOLOGY LETTERS Tom 6 Nr 2B r. 2001, str. 549-549 (Komunikat) Krzysztof Ginalski, Paweł Grochowski, Bogdan Lesyng | |
| 14. | Quantum-Dynamical Picture of a Multi-Step Enzymatic Process. Reaction Catalyzed by Phospholipase A2
BIOPHYSICAL JOURNAL Tom 79 Nr 3 r. 2000, str. 1253-1262 (Artykuł) Piotr Bala, Paweł Grochowski, Krzysztof Nowiński, Bogdan Lesyng, J McCammon | |
| 15. | DFT-Based Parametrization of an Approximate Valence Bond (AVB) Method for QCMD/ AVB Simulations of the Transphosphorylation Process Catalyzed by PKA
JOURNAL OF BIOSCIENCES Tom 24 r. 1999, str. 49-49 (Artykuł konferencyjny) Krzysztof Ginalski, Paweł Grochowski, Bogdan Lesyng | |
| 16. | Parametrization of an Approximate Valence Bond (AVB) Method to Describe Potential Energy Surface in the Reaction Catalysed by HIV-1 Protease
JOURNAL OF BIOSCIENCES Tom 24 Nr Suppl. 1 r. 1999, str. 48-48 (Komunikat) Joanna Trylska, Paweł Grochowski, Maciej Geller | |
| 17. | Advanced Calculations and Visualisation of Enzymatic Reactions Using a Combined Quantum Classical Molecular Dynamics
LECTURE NOTES IN COMPUTER SCIENCE Nr 1541 r. 1998, str. 20-26 (Artykuł) Piotr Bala, T Clark, Paweł Grochowski, Krzysztof Nowiński, Bogdan Lesyng, J McCammon | |
| 18. | Quantum Dynamics of Proton Transfer Processes in Enzymatic Reactions. Simulations of Phospholipase A2
BERICHTE DER BUNSEN-GESSELSCHAFT - PHYSICAL CHEMISTRY Tom 102 Nr 3 r. 1998, str. 580-586 (Artykuł) Piotr Bala, Paweł Grochowski, Bogdan Lesyng, J McCammon | |
| 19. | Quantum Classical Molecular Dynamics simulation. Studies of the enzymatic reactions of phospholipid hydrolysis.
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HYPERNEWS Tom 2 r. 1997, str. 18-21 (Artykuł) Piotr Bała, Paweł Grochowski, Bogdan Lesyng, J.A. McCammon | |
| 20. | Density Functional based parametrization of a Valence Bond Method and its Applications in Quantum-Classical Molecular Dynamics Simulations of Enzymatic Reactions
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY Tom 60 r. 1996, str. 1134-1164 (Artykuł) Paweł Grochowski, Bogdan Lesyng, Piotr Bala, J McCammon | |
| 21. | Dynamics Simulations of Proton Transfer Process in Molecular Complexes and in Enzymes
JOURNAL OF PHYSICAL CHEMISTRY B Tom 100 r. 1996, str. 2535-2545 (Artykuł) Piotr Bala, Paweł Grochowski, Bogdan Lesyng, J McCammon | |
| 22. | Molecular and Electrostatic Properties of the N-methylated Nucleic Acid Bases by Density Functional Theory
CHEMICAL PHYSICS Tom 204 r. 1996, str. 301-311 (Artykuł) Grzegorz Bakalarski, Paweł Grochowski, Józef Kwiatkowski, Bogdan Lesyng, J Leszczyński | |
| 23. | Quantum-Classical Molecular Dynamics (QCMD) of Enzymatic Process
PROGRESS IN BIOPHYSICS & MOLECULAR BIOLOGY Tom 65 r. 1996, str. 46-48 (Artykuł) Piotr Bała, Paweł Grochowski, Bogdan Lesyng, J McCammon | |
| 24. | Quantum-Classical Molecular Dynamics and Its Computer Implementation
COMPUTERS & CHEMISTRY Tom 19 r. 1995, str. 155-160 (Artykuł) Piotr Bała, Paweł Grochowski, Bogdan Lesyng, J McCammon | |
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| 25. | Parameterization of the Potential Energy Surface of the Double Proton Transfer in Porphyrins
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w: From Computational Biophysics to Systems Biology (CBSB07), Proceedings of the NIC Workshop 2007, str. 133-137, John von Neumann Institute for Computing, Juelich, r. 2007 (Artykuł konferencyjny) Marta Hallay-Suszek, Paweł Grochowski, Bogdan Lesyng | |