Initial geometries and MD trajectories of right- and left-handed G-quadruplexes
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https://mostwiedzy.pl/en/open-research-data/initial-geometries-and-md-trajectories-of-right-and-left-handed-g-quadruplexes,1120092701111446-0
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资源简介：
Dataset contains initial geometries of 12 monomeric, 2-tetrad G-quadruplexes featuring three different loop lengths (T1, T2 and T3), adapted by the sequence GGTnGGTnGGTnGG where n=(1-3). For each loop length variant two directions of strand progression (clockwise (+) and anti-clockwise (-)) and two helicities (left-handed (LH) and right-handed (RH)) were considered. All structures are solvated in water with K+ and CL- ions. Additionally, dataset contains MD-generated folded-state ensembles of energetically accessible folds. Ensembles were obtained by concatenaiting folded-state parts of trajectories from independent MD runs for each system.
提供机构：
Gdańsk University of Technology
创建时间：
2023-11-20
