Research profile
- Intermolecular interactions, electrostatic interactions.
- Aromatic stacking complexes, DNA intercalation.
- Mesoscale organization of soft matter
Publications
- N. M. O'Boyle, R. Guha, E. L. Willighagen, S. E. Adams, J. Alvarsson, J. Bradley, I. V. Filippov, R. M. Hanson, M. D. Hanwell, G. R. Hutchison, C. A. James, N. Jeliazkova, A. S. Lang, K. M. Langner, D. C. Lonie, D. M. Lowe, J. Pansanel, D. Pavlov, O. Spjuth, C. Steinbeck, A. L. Tenderholt, K. J. Theisen, P. Murray-Rust, Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on, Journal of Cheminformatics 3 (37), (2011) DOI
- K. M. Langner, T. Janowski, R. W. Góra, P. Dziekoński, W. A. Sokalski, P. Pulay, The ethidium--UA/AU intercalation site: effect of model fragmentation and backbone charge state, Journal of Chemical Theory and Computation 7 (8), 2600-2609 (2011) DOI
- G. J. A. Sevink, M. Pinna, K. M. Langner, A. V. Zvelindovsky , Selective disordering of lamella-forming diblock copolymers under an electric field , Soft Matter 7 5161-5170 (2011) DOI
- N. M. O'Boyle, A. L. Tenderholt, K. M. Langner, cclib: a library for package-independent computational chemistry algorithms, J. Comp. Chem. 29 (5), 839-845 (2008) DOI
- K. M. Langner, W. A. Sokalski, J. Leszczynski, Intriguing relations of interaction energy components in stacked nucleic acids, J. Chem. Phys. 127 111102 (2007) DOI
- K. M. Langner, P. Kędzierski, W. A. Sokalski, J. Leszczynski, Physical nature of ethidium and proflavine interactions with nucleic acid bases in the intercalation plane, J. Phys. Chem. B 110 (19), 9720-9727 (2006) DOI
- K. M. Langner, M.Sc. Thesis: Modelowanie oddziaływań ligandów aromatycznych z kwasami nukleinowymi, (2005) [download PDF (in Polish)]
- B. Szabat, K. M. Langner, B. Klösgen, K. Weron, A continuous-time random-walk approach to the cole-davidson dielectric response of dipolar liquids, Acta Phys. Pol. B 36 (5), 1823-1835 (2005)
- A. Woźniacka, K. M. Langner, D. P. McCauliffe, A. Sysa-Jędrzejowska, M. Langner, Quantitative evaluation of 52 kD Ro/SS-A intracellular distribution in keratinocytes exposed to UVB radiation, Opt. Appl. 34 (1), 77-85 (2004)
Conference presentations
- K. M. Langner, Robert W. Góra, W. A. Sokalski, Analysis of interaction energies for molecular systems of unprecedented size (poster), Modelling and Design of Molecular Materials, Piechowice, Poland, 2008
- K. M. Langner, W. A. Sokalski, Intruiging relations of the stacking interaction energy components for DNA bases (poster), Isolated Biomolecules and Biomolecular Interactions, Valladolid, Spain, 2008
- K. M. Langner, W. A. Sokalski, Stacked nucleic acid bases: statistical correlation of interaction terms, electrostatic excimer interactions (poster), Modeling Interactions in Biomolecules III, Prague, Czech Republic, 2007
- K. M. Langner, W. A. Sokalski, J. Leszczynski, Stacked nucleic acid bases: insight from the theory of intermolecular interactions (poster), Gordon Research Conference: Biological Molecules In The Gas Phase, Bates College, ME, U.S.A., 2007
- K. M. Langner, W. A. Sokalski, Statistical relationships between interaction components in stacked nucleic acid bases (poster), Progress in ab initio modelling of biomolecules: towards computational spectroscopy, Rome, Italy, 2007
- K. M. Langner, W. A. Sokalski, Significance of electrostatic interactions in nucleic acid base stacking complexes (short talk), ESF Research Conference: Biomolecules - From Gas Phase Properties to Reactions Relevant in Living Cells, Obergurgl, Austria, 2006
- K. M. Langner, W. A. Sokalski, Relevance and requirements for the convergence of electrostatic multipole interactions in biopolymers (poster), Structure and Function of Biomolecules II, Będlewo near Poznań, Poland, 2006
- K. M. Langner, P. Kedzierski, W. A. Sokalski, J. Leszczynski, The physical nature of ethidium and proflavine alignment in nucleic acid intercalation complexes (poster), Modelling Interactions in Biomolecules II, Prague, Czech Republic, 2005
- K. M. Langner, B. Klosgen, A setup for the dielectric relaxation spectroscopy of miniature fluid samples (poster), International Conference on Biological Physics, Göteborg, Sweden, 2004
- K. M. Langner, P. Kedzierski, W. A. Sokalski, J. Leszczynski, Analysis of the intermolecular interactions of intercalation: the ethidium chromophore between GC/CG DNA base pairs (poster), Modelling and Design of Molecular Materials, Wrocław, Poland, 2004
Tematy prac dyplomowych i badawczych (Research topics for students)
- Analiza oddziaływań aromatycznych w układach typu stacking.
- Kodowanie i testowanie algorytmów chemii obliczeniowej w Pythonie dla biblioteki cclib.
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