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Investigation of polarization effects in the gramicidin A channel from ab initio molecular dynamics simulations

โœ Scribed by Timko, Jeff; Kuyucak, Serdar


Book ID
120378581
Publisher
American Institute of Physics
Year
2012
Tongue
English
Weight
988 KB
Volume
137
Category
Article
ISSN
0021-9606

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โœ Nathan C. Bingham; Natasha E. C. Smith; Timothy A. Cross; David D. Busath ๐Ÿ“‚ Article ๐Ÿ“… 2003 ๐Ÿ› Wiley (John Wiley & Sons) ๐ŸŒ English โš– 338 KB ๐Ÿ‘ 2 views

Gramicidin A (gA) is prototypical peptide antibiotic and a model ion channel former. Configured in the solid-state NMR beta(6.5)-helix channel conformation, gA was subjected to 1-ns molecular dynamics (MD) gas phase simulations using the all-atom charmm22 force field to ascertain the conformational