Conformational sampling of metastable states: Tq-REM as a novel replica exchange method
2017 ◽
Vol 19
(7)
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pp. 5454-5464
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Keyword(s):
We propose a new replica exchange scheme (Tq-REM) created by combining the conventional temperature-REM (T-REM) and one of the Hamiltonian-REMs (q-REM), which shows improved sampling efficiency of metastable states.
Molecular Dynamics of Apo-Adenylate Kinase: A Distance Replica Exchange Method for the Free Energy of Conformational Fluctuations
2006 ◽
Vol 110
(47)
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pp. 24121-24137
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Keyword(s):
2009 ◽
Vol 113
(50)
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pp. 16197-16208
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2007 ◽
Vol 111
(42)
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pp. 12310-12321
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2009 ◽
Vol 113
(28)
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pp. 9595-9605
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Keyword(s):
2008 ◽
Vol 454
(4-6)
◽
pp. 391-395
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Keyword(s):
2012 ◽
Vol 34
(2)
◽
pp. 132-140
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2012 ◽
Vol 9
(1)
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pp. 570-581
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Keyword(s):
