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New KISAO term for springsalad / langevin solver #118

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danv61 opened this issue Nov 22, 2024 · 1 comment
Open
3 tasks

New KISAO term for springsalad / langevin solver #118

danv61 opened this issue Nov 22, 2024 · 1 comment
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@danv61
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danv61 commented Nov 22, 2024

Please provide information about the requested term:

What type of term would you like to create?

  • [ X] algorithm
  • algorithm characteristic
  • algorithm parameter
  • algorithm output

What is the suggested label of the term?
Langevin springs-connected particle-based, stochastic, biochemical simulation method.

Are there any synonyms for this term?

Maybe synonim is not exact, they are more like closest related algorithms. NFSim is direct ancestor.

  • NFSim algorithm KISAO_0000263
  • Smoldyn algorithm KISAO_0000057 (Brownian diffusion Smoluchowski method)

What is the suggested definition of the term?
SpringSaLaD is a particle-based, stochastic, biochemical simulation platform with excluded volume, suitable for modeling mesoscopic systems, which are far too large to be modeled with molecular dynamics but which require more detail than obtainable with macroscopic continuum models.

Are there any citations for the term?
Please provide a list of citations with URLs (preferably using DOIs) such as below:

https://pubmed.ncbi.nlm.nih.gov/26840718/

SpringSaLaD: A Spatial, Particle-Based Biochemical Simulation Platform with Excluded Volume
Paul J Michalski 1, Leslie M Loew 2
PMID: 26840718 PMCID: PMC4744174 DOI: 10.1016/j.bpj.2015.12.026

Which simulation tools support this terms?

  • springsalad
  • vcell

What should the parent of this term?

KISAO_0000263

What additional relationships should this new term have to existing terms?
Please provide a list of the relationships that this term should have to other terms such as below:

Is there any additional information that KiSAO should capture about this term?
Please describe any additional information that should be encoded into KiSAO.

@danv61
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danv61 commented Nov 22, 2024

Specific terms:
Spring interval (typical 1.0E-9)
Image interval (typical 1.oE-4)

Possible other terms: Num of trials, num of paallel local runs, num of partitions on x, y, z

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