Molecular Dynamics Simulations of the 136 Unique Tetranucleotide Sequences of DNA Oligonucleotides. I. Research Design and Results on d(C pG) Steps

We describe herein a computationally intensive project aimed at carrying out molecular dynamics (MD) simulations including water and counterions on B-DNA oligomers containing all 136 unique tetranucleotide base sequences. This initiative was undertaken by an international collaborative effort involv...

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Veröffentlicht in:	Biophysical journal 2004-12, Vol.87 (6), p.3799-3813
Hauptverfasser:	Beveridge, David L., Barreiro, Gabriela, Suzie Byun, K., Case, David A., Cheatham, Thomas E., Dixit, Surjit B., Giudice, Emmanuel, Lankas, Filip, Lavery, Richard, Maddocks, John H., Osman, Roman, Seibert, Eleanore, Sklenar, Heinz, Stoll, Gautier, Thayer, Kelly M., Varnai, Péter, Young, Matthew A.
Format:	Artikel
Sprache:	eng
Schlagworte:	Base Sequence Biochemistry, Molecular Biology Biophysical Theory and Modeling Computer Simulation Deoxyribonucleic acid DNA DNA - chemistry Kinetics Life Sciences Models, Chemical Models, Molecular Molecular Sequence Data Motion Nucleic Acid Conformation Oligodeoxyribonucleotides - chemistry Structure-Activity Relationship Thermodynamics
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