output
19942026
most citedParallel Tempering Algorithm for Conformational Studies of Biological Molecules

1k citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

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Showing 2000Show all

4 papers · 1 filter

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…

cond-mat.stat-mech2000★ 81 cited

Replica-Exchange Simulated Tempering Method for Simulations of Frustrated Systems

A. Mitsutake, Y. Okamoto

We propose a new method for the determination of the weight factor for the simulated tempering method. In this method a short replica-exchange simulation is performed and the simul…

cond-mat.stat-mech2000★ 829 cited

Multidimensional replica-exchange method for free-energy calculations

Yuji Sugita, Akio Kitao, Yuko Okamoto

We have developed a new simulation algorithm for free-energy calculations. The method is a multidimensional extension of the replica-exchange method. While pairs of replicas with d…

cond-mat.stat-mech2000★ 298 cited

Replica-exchange multicanonical algorithm and multicanonical replica-exchange method for simulating systems with rough energy landscape

Yuji Sugita, Yuko Okamoto

We propose two efficient algorithms for configurational sampling of systems with rough energy landscape. The first one is a new method for the determination of the multicanonical w…