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cond-mat.soft2001
Folding of a Small Helical Protein Using Hydrogen Bonds and Hydrophobicity Forces
Giorgio Favrin, Anders Irbäck, Stefan Wallin
A reduced protein model with five to six atoms per amino acid and five amino acid types is developed and tested on a three-helix-bundle protein, a 46-amino acid fragment from staph…
cond-mat.soft2001★ 101 cited
Monte Carlo Update for Chain Molecules: Biased Gaussian Steps in Torsional Space
Giorgio Favrin, Anders Irbäck, Fredrik Sjunnesson
We develop a new elementary move for simulations of polymer chains in torsion angle space. The method is flexible and easy to implement. Tentative updates are drawn from a (conform…