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Protein simulations: The absorption spectrum of barnase point mutants
The near-UV absorption spectra of barnase double-point mutants are calculated using a combination of molecular dynamics and ab initio techniques. The atoms of the fluorescent probes are placed in a cloud of point charges, generated by molecular dynamics simulations. Ab initio calculations (CASPT2) a...
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| Hlavní autoři: | , , , , , |
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| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
Cold Spring Harbor Laboratory Press
2004
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2279920/ https://ncbi.nlm.nih.gov/pubmed/15215525 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1110/ps.04652804 |
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