Ontology highlight
ABSTRACT:
SUBMITTER: Spiwok V
PROVIDER: S-EPMC7344294 | biostudies-literature | 2020
REPOSITORIES: biostudies-literature
Frontiers in molecular biosciences 20200630
Molecular simulation trajectories represent high-dimensional data. Such data can be visualized by methods of dimensionality reduction. Non-linear dimensionality reduction methods are likely to be more efficient than linear ones due to the fact that motions of atoms are non-linear. Here we test a popular non-linear t-distributed Stochastic Neighbor Embedding (t-SNE) method on analysis of trajectories of 200 ns alanine dipeptide dynamics and 208 μs Trp-cage folding and unfolding. Furthermore, we i ...[more]