FADRNÁ, Eva, Naděžda ŠPAČKOVÁ, Sarzynska JOANNA, Jaroslav KOČA, Modesto OROZCO, Thomas CHEATHAM, Tadeusz KULINSKI a Jiri SPONER. Single Stranded Loops of Quadruplex DNA As Key Benchmark for Testing Nucleic Acids Force Fields. Journal of Chemical Theory and Computation. 2009, roč. 5, č. 9, s. 2514-2530. ISSN 1549-9618. |
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@article{853261, author = {Fadrná, Eva and Špačková, Naděžda and Joanna, Sarzynska and Koča, Jaroslav and Orozco, Modesto and Cheatham, Thomas and Kulinski, Tadeusz and Sponer, Jiri}, article_number = {9}, keywords = {DNA quadruplex; MD simulation; force fields}, language = {eng}, issn = {1549-9618}, journal = {Journal of Chemical Theory and Computation}, title = {Single Stranded Loops of Quadruplex DNA As Key Benchmark for Testing Nucleic Acids Force Fields}, volume = {5}, year = {2009} }
TY - JOUR ID - 853261 AU - Fadrná, Eva - Špačková, Naděžda - Joanna, Sarzynska - Koča, Jaroslav - Orozco, Modesto - Cheatham, Thomas - Kulinski, Tadeusz - Sponer, Jiri PY - 2009 TI - Single Stranded Loops of Quadruplex DNA As Key Benchmark for Testing Nucleic Acids Force Fields JF - Journal of Chemical Theory and Computation VL - 5 IS - 9 SP - 2514-2530 EP - 2514-2530 SN - 15499618 KW - DNA quadruplex KW - MD simulation KW - force fields N2 - We have carried out a set of explicit solvent molecular dynamics (MD) simulations on two DNA quadruplex (G-DNA) molecules. The main purpose of the paper was testing of the capability of the MD simulation technique to describe single-stranded topologies of G-DNA loops, which represent a very challenging task for computational methods. ER -
FADRNÁ, Eva, Naděžda ŠPAČKOVÁ, Sarzynska JOANNA, Jaroslav KOČA, Modesto OROZCO, Thomas CHEATHAM, Tadeusz KULINSKI a Jiri SPONER. Single Stranded Loops of Quadruplex DNA As Key Benchmark for Testing Nucleic Acids Force Fields. \textit{Journal of Chemical Theory and Computation}. 2009, roč.~5, č.~9, s.~2514-2530. ISSN~1549-9618.
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