| 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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