Llwytho...
Topology and parameter data of thirteen non-natural amino acids for molecular simulations with CHARMM22
In this article we provide a data package containing the topology files and parameters compatible with the CHARMM22 force field for thirteen non-natural amino acids. The force field parameters were derived based on quantum mechanical (QM) calculations involving geometry optimization and potential en...
Wedi'i Gadw mewn:
| Cyhoeddwyd yn: | Data Brief |
|---|---|
| Prif Awduron: | , |
| Fformat: | Artigo |
| Iaith: | Inglês |
| Cyhoeddwyd: |
Elsevier
2016
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| Pynciau: | |
| Mynediad Ar-lein: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5067094/ https://ncbi.nlm.nih.gov/pubmed/27766295 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.dib.2016.09.051 |
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