TY  - COMP
AU  - de Bruyn, Emile
TI  - SPEADI: Scalable Protein Environment Analysis for Dynamics and Ions
PB  - RWTH Aachen
M1  - FZJ-2023-00108
PY  - 2022
AB  - A Python package that aims to characterise the dynamics of local chemical environments from Molecular Dynamics trajectories of proteins and other biomolecules. Documentation:  fzj-jsc.github.io/speadi/ Host repository:  gitlab.jsc.fz-juelich.de/slbio/speadi Public Mirror:  github.com/FZJ-JSC/speadi
KW  - Molecular Dynamics (Other)
KW  - Protein Analysis (Other)
KW  - RDF (Other)
KW  - Radial Distribution Function (Other)
KW  - Van Hove Function (Other)
KW  - Time Resolved Radial Distribution Function (Other)
KW  - TRRDF (Other)
KW  - Intrinsically Disordered Proteins (Other)
KW  - Ion Analysis (Other)
LB  - PUB:(DE-HGF)33
DO  - DOI:10.5281/ZENODO.7436712
UR  - https://juser.fz-juelich.de/record/916805
ER  -