## Abstract We present a series of conformational search calculations on the aggregation of short peptide fragments that form fibrils similar to those seen in many protein misโfolding diseases. The proteins were represented by a faceโcentered cubic lattice model with the conformational energies cal
Exhaustive conformational search and simulated annealing for models of lattice peptides
โ Scribed by R. C. Brower; George Vasmatzis; Michael Silverman; Charles Delisi
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 1993
- Tongue
- English
- Weight
- 547 KB
- Volume
- 33
- Category
- Article
- ISSN
- 0006-3525
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## Abstract A bottomโup coarseโgraining procedure for peptides in aqueous solution is presented, where the interactions in the coarseโgrained (CG) model are determined such that the CG peptide samples conformations according to a highโresolution (atomistic) model. It is shown that important aspects