μABC: a systematic microsecond molecular dynamics study of tetranucleotide sequence effects in B-DNA

Pasi, Marco; H. Maddocks, John; L. Beveridge, David; C. Bishop, Thomas; A. Case, David; E. Cheatham, Thomas; D. Dans, Pablo; Jayaram, B.; Lankaš, Filip; A. Laughton, Charles; S. Mitchell, Jonathan; Osman, Roman; Orozco, Modesto; Pérez, Alberto; Petkevičiūtė-Gerlach, Daiva; Špačková, Nad’a; Šponer, Jiřı́; Zakrzewska, K.; Lavery, Richard

doi:10.1093/nar/gku855

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μABC: a systematic microsecond molecular dynamics study of tetranucleotide sequence effects in B-DNA

Published in Nucleic Acids Research • Sep 26, 2014

Authors:

Marco Pasi

John H. Maddocks

David L. Beveridge

Abstract

We present the results of microsecond molecular dynamics simulations carried out by the ABC group of laboratories on a set of B-DNA oligomers containing the 136 distinct tetranucleotide base sequences. We demonstrate that the resulting trajectories have extensively sampled the conformational space a...

Subject

Microsecond

Biology

Phosphodiester bond

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