## Abstract The structural properties of a 10‐residue and a 15‐residue peptide in aqueous solution were investigated by molecular dynamics simulation. The two designed peptides, SYINSDGTWT and SESYINSDGTWTVTE, had been studied previously by NMR at 278 K and the resulting model structures were class
✦ LIBER ✦
The Thermodynamics of Folding of a β Hairpin Peptide Probed Through Replica Exchange Molecular Dynamics Simulations
✍ Scribed by Andrij Baumketner; Joan-Emma Shea
- Publisher
- Springer
- Year
- 2005
- Tongue
- English
- Weight
- 505 KB
- Volume
- 116
- Category
- Article
- ISSN
- 1432-2234
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## Abstract Large‐scale massively parallel molecular dynamics (MD) simulations of the human class I major histocompatibility complex (MHC) protein HLA‐A\*0201 bound to a decameric tumor‐specific antigenic peptide GVYDGREHTV were performed using a scalable MD code on high‐performance computing platf