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 1. M. Markiewicz, K. Baczynski, M. Pasenkiewicz-Gierula, Properties of water hydrating the galactolipid and phospholipid bilayers: a Molecular dynamics simulation study, Acta Biochimica Polonica 2015, 62:475-481, 2015.
 1. K. Baczynski, M. Markiewicz, M. Pasenkiewicz-Gierula, A computer model of a polyunsaturated monogalactolipid bilayer, Biochimie 2015, 118:129-140, 2015
 1. K. Murzyn, M. Pasenkiewicz-Gierula, Structural properties of the water/membrane interface of a bilayer built of the E. coli lipid A, Journal of Physical Chemistry B 2015, 119: 5846−5856, 2015.
 1. M. Markiewicz, K. Baczynski, M. Pasenkiewicz-Gierula, Properties of water hydrating the galactolipid and phospholipid bilayers: a Molecular dynamics simulation study, Acta Biochimica Polonica 2015, 62:475-481, 2015. [[attachment:Properties of water hydrating the galactolipid and phospholipid.pdf|PDF]]
 1. K. Baczynski, M. Markiewicz, M. Pasenkiewicz-Gierula, A computer model of a polyunsaturated monogalactolipid bilayer, Biochimie 2015, 118:129-140, 2015. [[attachment:A computer model of a polyunsaturated monogalactolipid bilayer.pdf|PDF]]
 1. K. Murzyn, M. Pasenkiewicz-Gierula, Structural properties of the water/membrane interface of a bilayer built of the E. coli lipid A, Journal of Physical Chemistry B 2015, 119: 5846−5856, 2015. [[attachment:Structural Properties of the Water Membrane.pdf|PDF]]
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 1. A. Wójcik, E. Broclawik, P.E.M. Siegbahn, M. Lundberg, G. Moran, T. Borowski, The role of substrate positioning in the catalytic reaction of 4-hydroxyphenylpyruvate dioxygenase – a QM/MM study. Journal of the American Chemical Society, 136, 14472-14485, 2014.
 1. R. Szczelina, K. Murzyn, DMG-alpha-A Computational Geometry Library for Multimolecular Systems. Journal of Chemical Information and Modeling, 54, 3112-3123, 2014.
 1. A. Maciejewski, M. Pasenkiewicz-Gierula,O. Cramariuc, I. Vattulainen, T. Rog, Refined OPLS all-atom force field for saturated phosphatidylcholine bilayers at full hydration, The Journal of Physical Chemistry B, 118, 4571-4581, 2014.
 1. A. Wójcik, E. Broclawik, P.E.M. Siegbahn, M. Lundberg, G. Moran, T. Borowski, The role of substrate positioning in the catalytic reaction of 4-hydroxyphenylpyruvate dioxygenase – a QM/MM study. Journal of the American Chemical Society, 136, 14472-14485, 2014. [[attachment:Role of Substrate Positioning in the Catalytic Reaction of.pdf|PDF]]
 1. R. Szczelina, K. Murzyn, DMG-alpha-A Computational Geometry Library for Multimolecular Systems. Journal of Chemical Information and Modeling, 54, 3112-3123, 2014. [[attachment:A Computational Geometry Library for Multimolecular.pdf|PDF]]
 1. A. Maciejewski, M. Pasenkiewicz-Gierula,O. Cramariuc, I. Vattulainen, T. Rog, Refined OPLS all-atom force field for saturated phosphatidylcholine bilayers at full hydration, The Journal of Physical Chemistry B, 118, 4571-4581, 2014. [[attachment:Refined OPLS All-Atom Force Field for Saturated.pdf|PDF]]

Publication List 2013-2015

  1. W. Kulig, M. Pasenkiewicz-Gierula, T. Róg, Topologies, structures and parameter files for lipid simulations in GROMACS with the OPLS-aa force field : DPPC, POPC, DOPC, PEPC, and cholesterol, Data in Brief 2015, 5: 333-336, 2015. PDF

  2. M. Markiewicz, K. Baczynski, M. Pasenkiewicz-Gierula, Properties of water hydrating the galactolipid and phospholipid bilayers: a Molecular dynamics simulation study, Acta Biochimica Polonica 2015, 62:475-481, 2015. PDF

  3. K. Baczynski, M. Markiewicz, M. Pasenkiewicz-Gierula, A computer model of a polyunsaturated monogalactolipid bilayer, Biochimie 2015, 118:129-140, 2015. PDF

  4. K. Murzyn, M. Pasenkiewicz-Gierula, Structural properties of the water/membrane interface of a bilayer built of the E. coli lipid A, Journal of Physical Chemistry B 2015, 119: 5846−5856, 2015. PDF

  5. B.A. Zabel, M. Kwitniewski, M. Banas, K. Zabieglo, K. Murzyn, J. Cichy, Chemerin regulation and role in host defense. American Journal of Clinical and Experimental Immunology, 3, 1-19, 2014. PDF

  6. A. Wójcik, E. Broclawik, P.E.M. Siegbahn, M. Lundberg, G. Moran, T. Borowski, The role of substrate positioning in the catalytic reaction of 4-hydroxyphenylpyruvate dioxygenase – a QM/MM study. Journal of the American Chemical Society, 136, 14472-14485, 2014. PDF

  7. R. Szczelina, K. Murzyn, DMG-alpha-A Computational Geometry Library for Multimolecular Systems. Journal of Chemical Information and Modeling, 54, 3112-3123, 2014. PDF

  8. A. Maciejewski, M. Pasenkiewicz-Gierula,O. Cramariuc, I. Vattulainen, T. Rog, Refined OPLS all-atom force field for saturated phosphatidylcholine bilayers at full hydration, The Journal of Physical Chemistry B, 118, 4571-4581, 2014. PDF

  9. K. Murzyn, M. Bratek, M. Pasenkiewicz-Gierula, Refined OPLS all-atom force field parameters for n-pentadecane, methyl acetate, and dimethyl phosphate. J. Phys. Chem. B, 117, 16388-16396, 2013. PDF

  10. M. Zdzalik, M. Kalinska, M. Wysocka, J. Stec-Niemczyk, P. Cichon, N. Stach, N. Gruba, H. R. Stennicke, A. Jabaiah, M. Markiewicz, S. Kedracka-Krok, B. Wladyka, P. S. Daugherty, A. Lesner, K. Rolka, A. Dubin, J. Potempa, G. Dubin, Biochemical and structural characterization of SplD protease from Staphylococcus aureus, PLOS-One, 2013. PDF

  11. P. Kolesinski, P. Golik, P. Grudnik, J. Piechota, M. Markiewicz, M. Tarnawski, G. Dubin, A. Szczepaniak, Insights into eukaryotic Rubisco assembly — Crystal structures of RbcX chaperones from Arabidopsis thaliana. BBA - General Subjects, 1830(4), 2899–2906, 2013. PDF

  12. M. Banas, K. Zabieglo, G. Kasetty, M. Kapinska-Mrowiecka, J. Borowczyk, J. Drukala, K. Murzyn, B. A. Zabel, E. C. Butcher, J. M. Schroeder, A. Schmidtchen, J. Cichy. Chemerin Is an Antimicrobial Agent in Human Epidermis. PLOS ONE, 8, 2013. PDF

  13. E. Plesnar, W. K. Subczynski, M. Pasenkiewicz-Gierula. Comparative Computer Simulation Study of Cholesterol in Hydrated Unary and Binary Lipid Bilayers and in an Anhydrous Crystal. The Journal of Physical Chemistry B, 8758−8769, 117, 2013. PDF

  14. M. Pasenkiewicz-Gierula, M. Markiewicz. Computer Modelling of the Lipid Matrix of Biomembranes. Computational methods to study the structure and dynamics of biomolecules and biomolecular processes – from bioinformatics to molecular quantum mechanics. Ed. A. Liwo, Springer Verlag, Berlin, Heidelberg, 317-356. PDF

ModMol: Publications_2013-2015 (last edited 2017-10-02 13:19:27 by AgnieszkaKruszyna)