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ABSTRACT:
SUBMITTER: Kozic M
PROVIDER: S-EPMC10789246 | biostudies-literature | 2024 Mar
REPOSITORIES: biostudies-literature
Kožić Matej M Bertoša Branimir B
NAR genomics and bioinformatics 20240115 1
Molecular dynamics simulations generate trajectories that depict system's evolution in time and are analyzed visually and quantitatively. Commonly conducted analyses include RMSD, <i>R</i><sub>gyr</sub>, RMSF, and more. However, those methods are all limited by their strictly statistical nature. Here we present trajectory maps, a novel method to analyze and visualize protein simulation courses intuitively and conclusively. By plotting protein's backbone movements during the simulation as a heatm ...[more]