Publikacje 2006

  1. Trylska Joanna , Flap opening dynamics in HIV-1 protease explored with a coarse-grained model W: MMS06: Methods of Molecular Simulations. Proceedings 20-22.09.2006, Feidelberg , Heidelberg, Germany, IWR, 2006
  2. Trylska Joanna , Hamacher Kay , Brooks, III Charles , McCammon J. Andrew , Computational Studies of the Assembly of the Small Ribosomal Subunit W: Workshop on the Structure and Function of Biomolecules II Proceedings, Będlewo, May11-13, 2006 , Europe, European Physical Society, 2006
  3. Rakowski Franciszek , Grochowski Paweł , Liwo Adam , Scheraga Harold , Symplectic Algorithms of Molecular Dynamics. An Application to the United-Residue Model W: NIC Workshop, From Computational Biophysics to Systems Biology (CBSB06) , John von Neumann Institute for Computing, Juelich, J. Meinke, O. Zimmermann, S. Mohanty, U.H.E. Hansmann, 2006
  4. Rudnicki Witold , Kierczak Marcin , Koronacki Jacek , Komorowski Jan , A Statistical Method for Determining Importance of Variables in an Information System, Lecture Notes in Computer Science, 2006, 4259, s. 557-566
  5. Wiślicki Wojciech , Autonomous Tools for GRID Management, Monitoring and Optimization - Design and Development Proposal , Warszawa, ICM, Wojciech Wiślicki, ICM, 2006
  6. Waniewski Jacek , mathematical modeling of fluid and solute transport in hemodialysis and peritoneal dialysis, JOURNAL OF MEMBRANE SCIENCE, 2006, 274, s. 24-37
  7. Konecny Robert , Trylska Joanna , Tama Florence , Zhang Deqiang , Baker Nathan , Brooks, III Charles , McCammon J. , Electrostatic Properties of Cowpea Chlorotic Mottle Virus and Cucumber Mosaic Virus Capsids, BIOPOLYMERS, 2006, 82, s. 106-120
  8. Hamacher Kay , Trylska Joanna , McCammon J , Dependency Map of Proteins in the Small Ribosomal Subunit, PLoS Computational Biology, 2006, 2, s. 0080-0087
  9. Minh David , Chang Chia-en , Trylska Joanna , Tozzini Valentina , McCammon J , The Influence of Macromolecular Crowding on HIV-1 Protease Internal Dynamics, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2006, 128, s. 6006-6007
  10. Chang Chia-en , Shen Tongye , Trylska Joanna , Tozzini Valentina , McCammon J. , Gated Binding of Ligands to HIV-1 Protease: Brownian Dynamics Simulations in a Coarse-Grained Model, BIOPHYSICAL JOURNAL, 2006, 90, s. 3880-3885
  11. Yang Grace , Trylska Joanna , Tor Yitzhak , McCammon J. , Binding of Aminoglycosidic Antibiotics to the Oligonucleotide A-Site Model and 30S Ribosomal Subunit: Poisson-Boltzmann Model, Thermal Denaturation, and Fluorescence Studies, JOURNAL OF MEDICINAL CHEMISTRY, 2006, 49, s. 5478-5490
  12. Won Han Gye , Sri Krishna S , Schwarzenbacher Robert , McMullan Daniel , Ginalski Krzysztof , Crystal Structure of the ApbE Protein (TM1553) from Thermotoga maritima at 1.58 A Resolution, PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2006, 64, s. 1083-1090
  13. Ginalski Krzysztof , Godzik Adam , Rychlewski Leszek , Novel SARS Unique AdoMet-Dependent Methyltransferase, Cell Cycle, 2006, 5, s. 2414-2416
  14. Holm Liisa , Kääriäinen Sakari , Wilton Chris , Plewczyński Dariusz , Using Dali - structural comparision of proteins W: CURRENT PROTOCOLS IN BIOINFORMATICS , X, WILEY, InterSience, 2006
  15. Steczkiewicz Kamil , Kinch Lisa , Grishin Nick , Rychlewski Leszek , Ginalski Krzysztof , Eukaryotic Domain of Unknown Function DUF738 Belongs to Gcn5-related N-acetyltransferase Superfamily, Cell Cycle, 2006, 5, s. 2927-2930
  16. Łodziana Zbigniew , Piechota Jacek , Ab initio thermodynamic properties of point defects and O-vacancy diffusion in Mg spinels, PHYSICAL REVIEW B, 2006, 74, s. 1-11
  17. Hamacher Kay , Trylska Joanna , McCammon J.A. , Assembling the small ribosomal subunit in silico: A novel approach to determine binding interdependencies, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 231, s. 1
  18. Trylska Joanna , McCammon J.A. , Brooks C , Exploring the assembly of the 30S ribosomal subunit, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 231, s. 1
  19. Sonechkin Dmitry , Brojewski Remigiusz , Goncharenko Alexander , Ivashchenko Nadeżda , Jakubiak Bogumił , Towards the numerical monthly weather forecasting for Eastern Europe. Order in the atmospheric low-fequency chaos., PAPERS ON GLOBAL CHANGE IGBP, 2006, 13, s. 19-28
  20. Jakubiak Bogumił , Comparison of the forecast background errors for nested grids in COAMPS W: Joint COST Avtion 731 and NetFAM "Uncertainty in High-Resolution Meteorological and Hydrological Models", Vilnius, Lithuania, 26-28 April 2006 , http://www.meteo.lt/, 2006
  21. Plewczyński Dariusz , Spieser Stephane , Koch Uwe , Assessing Different Classification Methods For Virtual Screening, Journal of Chemical Information and Modeling, 2006, 46, s. 1098-1106
  22. Kniżewski Łukasz , Ginalski Krzysztof , DUF 1613 is a Novel Family of Eucaryotic AdoMet-Dependent Methyltransferases, Cell Cycle, 2006, 5, s. 1580-1582
  23. Kniżewski Łukasz , Kinch Lisa , Grishin Nick , Rychlewski Leszek , Ginalski Krzysztof , Human Herpesvirus 1 UL24 Gene Encodes a Potential PD-(D/E)XK Endonuclease, JOURNAL OF VIROLOGY, 2006, 80, s. 2575-2577
  24. Ginalski Krzysztof , Comparative modeling for protein structure prediction, CURRENT OPINION IN STRUCTURAL BIOLOGY, 2006, 16, s. 1-6
  25. Kinch Lisa , Ginalski Krzysztof , Grishin Nick , Site-2 protease regulated intramembrane proteolysis: Sequence homologs suggest an acient signaling cascade, PROTEIN SCIENCE, 2006, 15, s. 84-93
  26. Maszkowski Rafał , Inny świat - obraz Żydów w Radiu Maryja, KWARTALNIK HISTORII ŻYDÓW - JEWISH HISTORY QUARTERLY, 2006, s. 669-687
  27. Benedyczak K. , Nowiński A. , Nowiński K. , Bała P. , Real-time visualization in the grid using UNICORE middleware, Lecture Notes in Computer Science, 2006, 3911, s. 608-615
  28. Brojewski Remigiusz , Jakubiak Bogumił , Jasiński Janusz , Impact of the surface temperature and the vertical shear of zonal wind on the dynamics of a simple two-layer model of the atmosphere., Acta Geophysica, 2006, 1, s. 1-1
  29. Grochala Wojciech , Grochala Wojciech , s a Non–Transition Element Nitride Ferromagnet Ever Achievable? Indication of the N–N Pairing Instability, Collection of Czechoslovak Chemical Communications, 2006, 71, s. 1525-1531
  30. Grochala Wojciech , Grochala Wojciech , Is a Non-Transition Element Nitride Ferromagnet Ever Achievable? Indication of the N-N Pairing Instability, Collection of Czechoslovak Chemical Communications, 2006, 71, s. 1525-1531
  31. Jaroń Tomasz , Grochala Wojciech , Grochala Wojciech , Hoffmann Roald , Prediction of thermodynamics stability and electronic structure of novel ternary lanthanide hydrides, JOURNAL OF MATERIALS CHEMISTRY, 2006, 16, s. 1154-1160
  32. Grochala Wojciech , Grochala Wojciech , Remarks on catalytic reduction of CO2, H+ and H2 by monovalent Ni, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2006, 8, s. 1340-1345
  33. Martinez-Canales M , Bergara A , Feng J , Grochala Wojciech , Grochala Wojciech , Pressure induced metallization of German, JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2006, 67, s. 2095-2099
  34. Grochala Wojciech , Grochala Wojciech , Small changes, big consequences, NATURE MATERIALS, 2006, 5, s. 513-514
  35. Grochala Wojciech , Grochala Wojciech , Plasticity of the coordination sphere of Ag2+, PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2006, 243, s. 81-83
  36. Grochala Wojciech , Grochala Wojciech , On similarities and differences in electronic structure between Cu(II)/O2– and Ag(II)/F1– infinite layer compounds, SCRIPTA MATERIALIA, 2006, 55, s. 811-814
  37. Maj Łukasz , Grochala Wojciech , Grochala Wojciech , Theoretical Design of Catalysts for the Heterolytic Splitting of H2, ADVANCED FUNCTIONAL MATERIALS, 2006, 16, s. 2061-2076
  38. Walewski Łukasz , Krachtus D , Fischer S , Smith J , Bała Piotr , Lesyng Bogdan , SCC-DFTB Energy Barriers for Single and Double Proton Transfer Processes in the Model Molecular Systems Malonaldehyde and Porphycene, International Journal of Quantum Chemistry, 2006, 106, s. 636-640
  39. Gruziel Magdalena , Rudnicki Witold , Lesyng Bogdan , From Microscopic Monte-Carlo Simulations to Macroscopic Solvation Models W: NIC Workshop, From Computational Biophysics to Systems Biology (CBSB06), June 6-9, 2006 , Juelich, Germany, NIC Directors, 2006
  40. Zhivkov Petar , Foryś Urszula , Waniewski Jacek , Anti-tumor immunity and tumor anti-immunuty in a mathematical model of tumor immunotherapy, JOURNAL OF BIOLOGICAL SYSTEMS, 2006, 14, s. 13-30
  41. Lampidis Theodore , Kurtoglu Metin , Maher Johnathan , Liu Huaping , Krishan Awtar , Sheft Valerie , Szymanski Slawomir , Fokt Izabela , Rudnicki Witold , Ginalski Krzysztof , Lesyng Bogdan , Lesyng Bogdan , Priebe Waldemar , Efficacy of 2-halogen substituted D-glucose analogs in blocking glycolysis and killing "hypoxic tumor cells", CANCER CHEMOTHERAPY AND PHARMACOLOGY, 2006, 58, s. 725-734
  42. Rakowski Franciszek , Grochowski Paweł , Lesyng Bogdan , Liwo Adam , Scheraga Harold , Sympletic Algorithms of Molecular Dynamics. An Application to the United-Residue Model. W: NIC Workshop 2006 from Computational Biophysics to Systems Biology 2006 , Jülich, Germany, NIC-Directors, 2006
  43. Rakowski Franciszek , Grochowski Paweł , Lesyng Bogdan , Liwo Adam , Scheraga Harold , Implementation of a symplectic multiple-time-step molecular dunamics algorithm, based on the united-residue mesoscopic potential energy function, JOURNAL OF CHEMICAL PHYSICS, 2006, 125, s. 1-10
  44. Grzelak Janusz , Batorski Dominik , Baranowska Anna , Grabowska Izabela , Kotowska Irena , Łagodziński Wiesław , Muras Magdalena , Strzelecki Paweł , Szumlicz Tadeusz , Tymowska Katarzyna , Diagnoza społeczna 2005 ed. Czapiński Janusz , Panek Tomasz , , Warszawa, VizjaPress&IT, 2006
  45. Górecki Adam , Górecki Adam , Trylska Joanna , Lesyng Bogdan , Causality of Rare Events from Molecular Dynamics Simulations W: Workshop on the Structure and Function of Biomolecules II Proceedings, Będlewo, May11-13, 2006 , Europe, European Physical Society, 2006
  46. Górecki Adam , Bała Piotr , Lesyng Bogdan , Parallelization of the Quantum Dynamics Code for Cluster Architecture and its Applications to the Gross-Pitaevskii Equation, International Journal of Quantum Chemistry, 2006, 106, s. 664-669
  47. Kmieć Piotr , Kalinowski Jarosław , Lesyng Bogdan , Generalized Born and Nonpolar Models in Solvation Free Energies W: NIC Workshop, From Computational Biophysics to Systems Biology (CBSB06) , Juelich, Germany, NIC Directors, 2006
  48. Górecki Adam , Trylska Joanna , Lesyng Bogdan , Lesyng Bogdan , Causality Relations in Molecular Dynamics Investigated with Multi-Variable Autoregressive Model, Europhysics Letters, 2006, 75, s. 503-509
  49. Społeczna przestrzeń internetu ed. Marody Mirosława , Nowak Andrzej , Batorski Dominik , , Warszawa, Academica, 2006