Molecular dynamics trajectories of human Pin1

Zenodo (CERN European Organization for Nuclear Research) 2026 Dataset Open access

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Authors: Jason Cargill, Vincent A. Voelz
DOI: 10.5281/zenodo.18601595
Cited by: 0

Abstract

`P12479_top100_invdist.tar` -- featured trajectory data for simulations in amber99sb-ildn-nmr1. Unpacked archive consists of `*.npy` numpy arrays with dimension $M \times N$ where M is the number of inverse distance features and $N$ is the number frames (100 ps per snapshot).

Fields of Study & Subjects

Protein Structure and Dynamics Signaling Pathways in Disease Computational Drug Discovery Methods

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
10 February 2026
Language
EN
Document type
Dataset