B -> A -> B transitions in a molecular dynamics trajectory of low salt DNA solution

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Publication details

JournalJournal of molecular modeling
DatePublished - 2000
Issue number12
Volume6
Number of pages5
Pages (from-to)654-658
Original languageEnglish

Abstract

A molecular dynamics simulation of the DNA dodecamer d(CGCATATATGCG) has been performed with AMBER 5.0 under low salt conditions. Both B --> A and A --> B transitions are observed. This may have biological significance for the formation of complexes between DNA and TATA-box binding proteins.

    Research areas

  • molecular dynamics, simulation, 1DN9, A-DNA, B-DNA, conformational transitions, PARTICLE MESH EWALD, NUCLEIC-ACIDS, FORCE-FIELD, A-TRANSITION, DOUBLE HELIX, TATA-BOX, SIMULATIONS, BINDING, PROTEINS, CONFORMATION

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