Journal Article

FZJ-2022-00332

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png pyrexMD: Workflow-Orientated Python Package for Replica Exchange Molecular Dynamics

Voronin, A. ; Schug, A. (Corresponding author)FZJ*

2021
[Verlag nicht ermittelbar] [Erscheinungsort nicht ermittelbar]

This record in other databases:  

Please use a persistent id in citations: http://hdl.handle.net/2128/30049  doi:10.21105/joss.03325

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Contributing Institute(s):

1. Jülich Supercomputing Center (JSC)

Research Program(s):

1. 5111 - Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups (POF4-511) (POF4-511)
2. Forschergruppe Schug (hkf6_20200501) (hkf6_20200501)
3. De novo protein structure prediction by integration of coevolutionary data into molecular dynamics simulations (hka22_20191101) (hka22_20191101)
4. De novo protein structure prediction by integration of coevolutionary data into molecular dynamics simulations (hka22_20181101) (hka22_20181101)

Appears in the scientific report 2021

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Database coverage:
; ; ; ; DOAJ Seal

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