Parallel Molecular Dynamics Simulations of Antimicrobial Peptides
Molecular dynamics (MD) simulations of the wheat antimicrobial peptide â-purothionin were carried out in explicit water (~14,000 atoms) using an all-atom model. The structural properties of the peptide as a function of MD simulation, temperature, and presence of the mono- and divalent metal ions wer...
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| Format: | Others |
| Language: | en |
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LSU
2004
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| Online Access: | http://etd.lsu.edu/docs/available/etd-04132004-154150/ |