2 papers
cond-mat.stat-mech2001
Free-Energy Calculations in Protein Folding by Generalized-Ensemble Algorithms
Y. Sugita, Y. Okamoto
We review uses of the generalized-ensemble algorithms for free-energy calculations in protein folding. Two of the well-known methods are multicanonical algorithm and replica-exchan…
cond-mat.stat-mech2000
Generalized-Ensemble Algorithms for Molecular Simulations of Biopolymers
Ayori Mitsutake, Yuji Sugita, Yuko Okamoto
In complex systems with many degrees of freedom such as peptides and proteins there exist a huge number of local-minimum-energy states. Conventional simulations in the canonical en…