10.21954/ou.rd.5226343.v1 Elaine Moore Elaine Moore YAO XU YAO XU Calculations on the effect of sulfur-substitution on guanine on a DNA oligomer - oligomer containing thioguanine. The Open University 2017 DNA oligomer Molecular Dynamics Simulation Studies Thioguanine Biochemistry Computational Chemistry 2017-08-11 13:47:45 Dataset https://ordo.open.ac.uk/articles/dataset/Calculations_on_the_effect_of_sulfur-substitution_on_guanine_on_a_DNA_oligomer_-_oligomer_containing_thioguanine_/5226343 Results of calculations using molecular dynamics over 15 ns (AMBER) on a DNA oligomer containing thioguanine in explicit water (TIP3P).<div>Output of analysis of these results using AMBER tools and X3DNA to obtain variation of oligomer properties with time.</div>