On-the-path random walk sampling for eff
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Mengen Chen; Wei Yang
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Article
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2009
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John Wiley and Sons
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English
β 236 KB
## Abstract A sampling method is proposed for the efficient acquisition of minimum freeβenergy path (MFEP). Here, the MFEP optimization is realized based on the sampling via single onβtheβpath random walk simulation. The present strategy naturally ensures the onβtheβpath structural continuity so th