Structures, molecular dynamics trajectories and parameter files for Helidye1-DNA complexes
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资源简介：
The dataset contains molecular dynamics trajectories of 300ns simulation of three complexes of Helidye1, a novel cationic helicene-like probe for DNA detection, with double-stranded DNA. In addition to trajectories, we add parameter files (mol2 and frc) for HeliDye1 containing atomic charges and parameter for dihedral and improper torsion angles.
创建时间：
2019-05-16
