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Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-Based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization
[Image: see text] We present Swarm-CG, a versatile software for the automatic iterative parametrization of bonded parameters in coarse-grained (CG) models, ideal in combination with popular CG force fields such as MARTINI. By coupling fuzzy self-tuning particle swarm optimization to Boltzmann invers...
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| Veröffentlicht in: | ACS Omega |
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| Hauptverfasser: | , , , , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
American Chemical Society
2020
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| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7758974/ https://ncbi.nlm.nih.gov/pubmed/33376921 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.0c05469 |
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