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59. H. Dohnalová, F. Lankaš (2021): Deciphering the mechanical properties of B-DNA duplex. WIRES Comput. Mol. Sci., submitted


58. E. Matoušková, E. Bignon, V. Claerbout, T. Dršata, N. Gillet, A. Monari, E. Dumont, F. Lankaš (2020): Impact of the nucleosome histone core on the structure and dynamics of DNA containing pyrimidine-pyrimidone (6-4) photoproduct. J. Chem. Theory Comput., 16, 5972-5981,

57. H. Dohnalová, T. Dršata, J. Šponer, M. Zacharias, J. Lipfert, F. Lankaš (2020): Compensatory Mechanisms in Temperature Dependence of DNA Double Helical Structure: Bending and Elongation. J. Chem. Theory Comput. 16, 2857–2863,

56. F. Lankaš (2020): Simple, But Not Too Simple: Modeling the Dynamics of DNA and RNA Buckling. Biophys. J. 118, 1514-1516,


55. F. Kriegel, C. Matek, T. Drsata, K. Kulenkampff, S. Tschirpke, M. Zacharias, F. Lankas, J. Lipfert (2018): The temperature dependence of the helical twist of DNA. Nucleic Acids Res. 46, 7998-8009,


54. T. Drsata, K. Reblova, I. Besseova, J. Sponer, F. Lankas (2017): rRNA C-loops: Mechanical properties of a recurrent structural motif. J. Chem. Theory Comput. 13, 3359-3371
53. E. Bignon, T. Drsata, C. Morell, F. Lankas, E. Dumont (2017): Interstrand cross-linking implies contrasting structural consequences for DNA: Insights from molecular dynamics. Nucleic Acids Res. 45, 2188-2195
52. M. Zgarbova, P. Jurecka, F. Lankas, T. E. Cheatham III, J. Sponer, M. Otyepka (2017): Influence of BII backbone substates on DNA twist: A unified view and comparison of simulation and experiment for all 136 distinct tetranucleotide sequences. J. Chem. Inf. Model. 57, 275-287


51. P. D. Dans, L. Danilane, I. Ivani, T. Drsata, F. Lankas, A. Hospital, J. Walther, R. I. Pujagut, F. Battistini, J. L. Gelpi, R. Lavery, M. Orozco (2016): Long-timescale dynamics of the Drew-Dickerson dodecamer. Nucleic Acids Res. 44, 4052-4066
50. T. Drsata, M. Zgarbova, P. Jurecka, J. Sponer, F. Lankas (2016): On the use of molecular dynamics simulations for probing allostery through DNA. Biophys. J. 110, 874-876


49. K. Liebl, T. Drsata, F. Lankas, J. Lipfert, M. Zacharias (2015): Explaining the striking difference in twist-stretch coupling between DNA and RNA: A comparative molecular dynamics analysis. Nucleic Acids Res. 43, 10143-10156
48. T. Drsata, F. Lankas (2015): Multiscale modelling of DNA mechanics. J. Phys. Condens. Matter 27, 323102
47. M. Kara, T. Drsata, F. Lankas, M. Zacharias (2015): Effect of O6-guanine alkylation on DNA flexibility studied by comparative molecular dynamics simulations. Biopolymers 103, 23-32
46. E. Dumont, T. Drsata, C.F. Guerra, F. Lankas (2015): Insights into the structure of intrastrand cross-link DNA lesion-containing oligonucleotides: G[8-5m]T and G[8-5]C from molecular dynamics simulations. Biochemistry 54, 1259-1267


45. T. Drsata, M. Zgarbova, N. Spackova, P. Jurecka, J. Sponer, F. Lankas (2014): Mechanical model of DNA allostery. J. Phys. Chem. Lett. 5, 3831-3835
44. M. Pasi, J.H. Maddocks, D. Beveridge, T.C. Bishop, D.A. Case, T.E. Cheatham III, P.D. Dans, B. Jayaram, F. Lankas, C. Laughton, J. Mitchell, R. Osman, M. Orozco, A. Perez, D. Petkeviciute, N. Spackova, J. Sponer, K. Zakrzewska, R. Lavery (2014): µABC: a systematic microsecond molecular dynamics study of tetranucleotide sequence effects in B-DNA. Nucleic Acids Res. 42, 12272-12283
43. M. Zgarbova, M. Otyepka, J. Sponer, F. Lankas, P. Jurecka (2014): Base pair fraying in molecular dynamics simulations of DNA and RNA.  J. Chem. Theory Comput. 10, 3177-3189
42. T. Drsata, N. Spackova, P. Jurecka, M. Zgarbova, J. Sponer, F. Lankas (2014): Mechanical properties of symmetric and asymmetric DNA A-tracts: Implications for looping and nucleosome positioning. Nucleic Acids Res 42, 7383-7394


41. C. Patel, T. Drsata, F. Lankas, E. Dumont (2013): Structure, dynamics, and interactions of a C4’-oxidized abasic site in DNA: A concomitant strand scission reverses affinities. Biochemistry 52, 8115-8125
40. T. Dršata, M. Kara, M. Zacharias, F. Lankaš (2013): Effect of 8-oxoguanine on DNA structure and deformability. J. Phys. Chem. B 117, 11617-11622
39. T. Dršata, F. Lankaš (2013): Theoretical models of DNA flexibility. WIREs Comput. Mol. Sci. 3, 355-363
38. T. Dršata, A. Pérez, M. Orozco, A. V. Morozov, J. Šponer, F. Lankaš (2013): Structure, Stiffness and Substates of the Dickerson-Drew Dodecamer. J. Chem. Theory Comput. 9, 707-721


37. F. Lankaš (2012): Modelling nucleic acid structure and flexibility: From atomic to mesoscopic scale. In: Innovations in Biomolecular Modeling and Simulations, vol. 2, pp.3-32. Tamar Schlick, ed. Royal Society of Chemistry, London
36. T. Zelený, M. Ruckenbauer, A. J. A. Aquino, T. Muller, F. Lankaš, T. Dršata, W. L. Hase, D. Nachtigallova, H. Lischka (2012): Strikingly different effects of hydrogen bonding on the photodynamics of individual nucleobases in DNA: Comparison of guanine and cytosine. J. Am. Chem. Soc. 134, 13662-13669
35. K. Réblová, J. Šponer, F. Lankaš (2012): Structure and mechanical properties of the ribosomal L1 stalk three-way junction. Nucleic Acids Res. 40, 6290-6303
34. P. Banáš, A. Mládek, M. Otyepka, M. Zgarbová, P. Jurečka, D. Svozil, F. Lankaš, J. Šponer (2012): Can we accurately describe the structure of adenine tracts in B-DNA? Reference quantum-chemical computations reveal overstabilization of stacking by molecular mechanics. J. Chem. Theory Comput. 8, 2448-2460
33. M. Kabeláč, O. Kroutil, M. Předota, F. Lankaš, M. Šíp (2012): Influence of a charged graphene surface on the orientation and conformation of covalently attached oligonucleotides: a molecular dynamics study. Phys. Chem. Chem. Phys. 14, 4217-4229


32. P. Sklenovský, P. Florová, P. Banáš, K. Réblová, F. Lankaš, M. Otyepka, J. Šponer (2011): Understanding RNA flexibility using explicit solvent simulations: The ribosomal and group I intron reverse kink-turn motifs. J. Chem. Theory Comput. 7, 2963-2980


31. F. Lankaš, N. Špačková, M. Moakher, P. Enkhbayar, J. Šponer (2010): A measure of bending in nucleic acids structures applied to A-tract DNA .Nucleic Acids Res. 38, 3414-3422
30. M. Kabelac, F. Lankas, F. Zimandl, T. Fessl (2010): Binding of QSY 21 Nonfluorescent quencher to DNA: Structure and Dynamics. International Conference on Networking and Information Technology, 516-520
29. R. Lavery, K. Zakrzewska, D. Beveridge, T.C. Bishop, D.A. Case, T.E. Cheatham III, S. Dixit, B. Jayaram, F. Lankaš, C. Laughton, J.H. Maddocks, A. Michon, R. Osman, M. Orozco, A. Perez, T. Singh, N. Špačková, J. Šponer (2010): A systematic molecular dynamics study of nearest-neighbor effects on base pair and base pair step conformations and fluctuations in B-DNA. Nucleic Acids Res. 38, 299-313
28. M. Kabeláč, F. Zimandl, T. Fessl, Z. Chval, F. Lankaš (2010): A comparative study of the binding of QSY 21 and Rhodamine 6G fluorescence probes to DNA: structure and dynamics. Phys. Chem. Chem. Phys. 12, 9677-9684


27. F. Lankaš, O.Gonzalez, L.M. Heffler, G. Stoll, M. Moakher, J.H. Maddocks (2009): On the parameterization of rigid base and basepair models of DNA from molecular dynamics simulations. Phys. Chem. Chem. Phys. 11, 10565-10588


26. A Perez, F Lankas, FJ Luque, M Orozco (2008): Towards a molecular dynamics consensus view of B-DNA flexibility. Nucleic Acids Res. 36, 2379-2394
25. I. Horenko, E. Dittmer, F. Lankas, J.H. Maddocks, Ph. Metzner, Ch. Schuette (2008): Macroscopic dynamics of complex metastable systems – theory, algorithms, and application to B-DNA. SIAM J. Applied Dynamical Systems 7, 532-560


24. K. Reblova, F. Lankas, J. Sponer (2007): Study of structure, dynamics and local elasticity of 16S rRNA helix 44 using molecular dynamics methods. J. Biomol. Struct. Dyn. 24, 635-636
23. T. Lionnet, F. Lankas (2007): Sequence-dependent twist-stretch coupling in DNA. Biophys. J. 92, L30-L32


22. F. Lankas, R. Lavery, J.H. Maddocks (2006): Kinking occurs during molecular dynamics simulations of small DNA minicircles. Includes cover graphics. Structure 14, 1527-1534
21. F. Aumann, F. Lankas, M. Caudron, J. Langowski (2006): Monte Carlo Simulation of Chromatin Stretching. Phys. Rev. E 73, 041927
20. K. Reblova, F. Lankas, F. Razga, M.V. Krasovska, J. Koca, J. Sponer (2006): Structure, dynamics and elasticity of free 16S rRNA helix 44 studied by molecular dynamics simulations. Biopolymers 82, 504-520
19. F. Lankas (2006): Inferring shape and harmonic deformability of nucleic acids from atomistic molecular dynamics. In: Computational studies of RNA and DNA, pp. 559-577. J. Sponer and F. Lankas, eds. Springer.


18. S.B. Dixit, D.L. Beveridge, D.A. Case, T.E. Cheatham III, E. Giudice, F. Lankas, R. Lavery, J.H. Maddocks, R. Osman, H. Sklenar, K. Thayer, P. Varnai (2005): Molecular Dynamics Simulations of the 136 Unique Tetranucleotide Sequences of DNA Oligonucleotides. II. Sequence context effects on the dynamical structures of the 10 unique dinucleotide steps. Biophys. J. 89, 3721-3740
17. F. Barone, F. Lankas, N. Spackova, J. Sponer, P. Karran, M. Bignami, F. Mazzei (2005): Structural and dynamic effects of single 7-hydro-8-oxoguanine bases located in a frameshift target DNA sequence. Biophys. Chem. 118, 31-41
16. F. Aumann, F. Lankas, M. Caudron, J. Langowski (2005): Chromatin flexibility simulated by a Monte Carlo model. Eur. Biophys. J. 34, 732


15. D.L. Beveridge, G. Barreiro, K.S. Byun, D.A. Case, T.E. Cheatham III, S.B. Dixit, E. Giudice, F. Lankas, R. Lavery, J.H. Maddocks, R. Osman, E. Seibert, H. Sklenar, G. Stoll, K.M. Thayer, P. Varnai, M.A. Young (2004): Molecular Dynamics Simulations of the 136 Unique Tetranucleotide Sequences of DNA Oligonucleotides. I. Research Design and Results on d(CpG) Steps. Biophys. J. 87, 3799-3813
14. A. Perez, A. Noy, F. Lankas, F.J. Luque, M. Orozco (2004): The relative flexibility od B-DNA and A-RNA duplexes: database analysis. Nucleic Acids Res. 32, 6144-6151
13. A. Noy, A. Perez, F. Lankas, F.J. Luque, M. Orozco (2004): Relative Flexibility of DNA and RNA: a Molecular Dynamics Study. J. Mol. Biol. 343, 627-638
12. F. Lankas (2004): DNA Sequence-Dependent Deformability – Insights from Computer Simulations. Biopolymers 73, 327-339
11. F. Lankas, J. Sponer, J. Langowski, T.E. Cheatham III (2004): DNA Deformability at the Base Pair Level. J. Am. Chem. Soc. 126, 4124-4125


10. F. Lankas, J. Sponer, J. Langowski, T.E. Cheatham III (2003): DNA Basepair Step Deformability Inferred from Molecular Dynamics Simulations. Biophys. J. 85, 2872-2883
9. F. Lankas, J. Sponer, T.E. Cheatham III, J. Langowski (2003): Multiscale modeling of DNA deformability. Biophys. J. 84 143A-143A, Part 2 Suppl. S
8. N. Spackova, T.E. Cheatham III, F. Ryjacek, F. Lankas, L.V. Meervelt, P. Hobza, J. Sponer (2003): Molecular Dynamics Simulations and Thermodynamics Analysis of DNA-Drug Complexes. Minor Groove Binding between 4’,6-Diamino-2-phenylindole and DNA Duplexes in Solution. J. Am. Chem. Soc. 125, 1759-1769


7. F. Lankas, T.E. Cheatham III, N. Spackova, P. Hobza, J. Langowski, J. Sponer (2002): Critical Effect of the N2 Amino Group on Structure, Dynamics, and Elasticity of DNA Polypurine Tracts. Biophys. J. 82, 2592-2609


6. F. Lankas, J. Sponer, P. Hobza, J. Langowski (2001): Global and local deformability of DNA oligonucleotides. J. Biomol. Struct. Dyn. 18, 993-994


5. F. Lankas, J. Sponer, P. Hobza, J. Langowski (2000): Elasticity of DNA: Insights from molecular dynamics simulations. Eur. Biophys. J. 29, 252
4. F. Lankas, J. Sponer, P. Hobza, J. Langowski (2000): Sequence-dependent Elastic Properties of DNA. J. Mol. Biol. 299, 695-709

Dřívější publikace

3. F. Lankas (1997): Thermodynamic description of condensation waves. Thesis. Institute of Thermomechanics, Czech Academy of Sciences, Prague.
2. F. Marsik, J. Blaha, F. Lankas (1996): Nucleation and condensation rate measurement by condensation wave. In: Nucleation and Atmospheric Aerosols, Kulmala M and Wagner P, eds. Pergamon.
1. F. Lankas (1992): A 2D model of silicon oxidation in the presence of electric and stress fields. Acta Technica CSAV 37, 695-704

Aktualizováno: 21.2.2021 11:58, Autor: Filip Lankaš

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