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CherryPicker: An Algorithm for the Automated Parametrization of Large Biomolecules for Molecular Simulation
Molecular simulations allow investigation of the structure, dynamics and thermodynamics of molecules at an atomic level of detail, and as such, are becoming increasingly important across many areas of science. As the range of applications increases, so does the variety of molecules. Simulation of a...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Frontiers Media S.A.
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6560068/ https://www.ncbi.nlm.nih.gov/pubmed/31231634 http://dx.doi.org/10.3389/fchem.2019.00400 |