aquaporin {vstdct}

Aquaporin Dataset

Description

Dataset with molecular dynamics simulations for the yeast aquaporin (Aqy1) - the gated water channel of the yeast Pichi pastoris. The dataset contains only the diameter Y of the channel which is used in the data analysis in (Klockmann and Krivobokova, 2023). The diameter Y is measured by the distance between two centers of mass of certain residues of the protein. The dataset includes a 100 nanosecond time frame, split into 20000 equidistant observations. The full dataset, including the Euclidean coordinates of all 783 atoms, is available from the authors. For more details see (Klockmann, Krivobokova; 2023).

Usage

aquaporin

Format

A data frame with 20000 rows and 1 variable:

• Y: the diameter of the channel

Source

see (Klockmann, Krivobokova; 2023).

Examples

data(aquaporin)