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| Hauptseite > Publikationsdatenbank > SPEADI: Scalable Protein Environment Analysis for Dynamics and Ions > print |
| Hauptseite > Publikationsdatenbank > SPEADI: Scalable Protein Environment Analysis for Dynamics and Ions > print |
| 001 | 916805 | ||
| 005 | 20230123101910.0 | ||
| 024 | 7 | _ | |a 10.5281/ZENODO.7436712 |2 doi |
| 037 | _ | _ | |a FZJ-2023-00108 |
| 041 | _ | _ | |a English |
| 100 | 1 | _ | |a de Bruyn, Emile |0 P:(DE-Juel1)184777 |b 0 |e Corresponding author |
| 245 | _ | _ | |a SPEADI: Scalable Protein Environment Analysis for Dynamics and Ions |
| 260 | _ | _ | |c 2022 |
| 336 | 7 | _ | |a Software |2 DCMI |
| 336 | 7 | _ | |a Software |b sware |m sware |0 PUB:(DE-HGF)33 |s 1672914581_7348 |2 PUB:(DE-HGF) |
| 336 | 7 | _ | |a MISC |2 BibTeX |
| 336 | 7 | _ | |a Computer Program |0 6 |2 EndNote |
| 336 | 7 | _ | |a OTHER |2 ORCID |
| 336 | 7 | _ | |a Software |2 DataCite |
| 502 | _ | _ | |c RWTH Aachen |
| 520 | _ | _ | |a 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 |
| 536 | _ | _ | |a 5111 - Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups (POF4-511) |0 G:(DE-HGF)POF4-5111 |c POF4-511 |f POF IV |x 0 |
| 536 | _ | _ | |a HDS LEE - Helmholtz School for Data Science in Life, Earth and Energy (HDS LEE) (HDS-LEE-20190612) |0 G:(DE-Juel1)HDS-LEE-20190612 |c HDS-LEE-20190612 |x 1 |
| 588 | _ | _ | |a Dataset connected to DataCite |
| 650 | _ | 7 | |a Molecular Dynamics |2 Other |
| 650 | _ | 7 | |a Protein Analysis |2 Other |
| 650 | _ | 7 | |a RDF |2 Other |
| 650 | _ | 7 | |a Radial Distribution Function |2 Other |
| 650 | _ | 7 | |a Van Hove Function |2 Other |
| 650 | _ | 7 | |a Time Resolved Radial Distribution Function |2 Other |
| 650 | _ | 7 | |a TRRDF |2 Other |
| 650 | _ | 7 | |a Intrinsically Disordered Proteins |2 Other |
| 650 | _ | 7 | |a Ion Analysis |2 Other |
| 773 | _ | _ | |a 10.5281/ZENODO.7436712 |
| 856 | 4 | _ | |u github.com/FZJ-JSC/speadi |
| 909 | C | O | |o oai:juser.fz-juelich.de:916805 |p VDB |
| 910 | 1 | _ | |a Forschungszentrum Jülich |0 I:(DE-588b)5008462-8 |k FZJ |b 0 |6 P:(DE-Juel1)184777 |
| 913 | 1 | _ | |a DE-HGF |b Key Technologies |l Engineering Digital Futures – Supercomputing, Data Management and Information Security for Knowledge and Action |1 G:(DE-HGF)POF4-510 |0 G:(DE-HGF)POF4-511 |3 G:(DE-HGF)POF4 |2 G:(DE-HGF)POF4-500 |4 G:(DE-HGF)POF |v Enabling Computational- & Data-Intensive Science and Engineering |9 G:(DE-HGF)POF4-5111 |x 0 |
| 914 | 1 | _ | |y 2022 |
| 920 | 1 | _ | |0 I:(DE-Juel1)JSC-20090406 |k JSC |l Jülich Supercomputing Center |x 0 |
| 980 | _ | _ | |a sware |
| 980 | _ | _ | |a VDB |
| 980 | _ | _ | |a I:(DE-Juel1)JSC-20090406 |
| 980 | _ | _ | |a UNRESTRICTED |
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