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SPICES: a particle-based molecular structure line notation and support library for mesoscopic simulation
Simplified Particle Input ConnEction Specification (SPICES) is a particle-based molecular structure representation derived from straightforward simplifications of the atom-based SMILES line notation. It aims at supporting tedious and error-prone molecular structure definitions for particle-based mes...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6085218/ https://www.ncbi.nlm.nih.gov/pubmed/30094683 http://dx.doi.org/10.1186/s13321-018-0294-7 |