The “Weighted Ensemble” Path Sampling Method Can Find Target States Blindly And Automatically
نویسندگان
چکیده
منابع مشابه
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“Weighted ensemble” (WE) simulation is an enhanced sampling method for non-equilibrium and equilibrium processes that would be impractical to observe using straightforward dynamics simulation. Two key examples are (i) activated processes — i.e., overcoming energy barriers and (ii) binding processes — i.e., sampling rare complexation events. The basic goal of such studies is to get from a known ...
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Dr. R.J. Stanley Department of Electrical and Computer Engineering Missouri University of Science and Technology 127 Emerson Electric Co. Hall 301 W 16 th St Rolla, MO 65409-0040 Email: [email protected] Telephone: 573-341-6896 Fax: 573-341-4532 ABSTRACT Filtering through ever increasing sources of information to find relevant information for clinical decisions is a challenging task for clinicia...
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ژورنال
عنوان ژورنال: Biophysical Journal
سال: 2009
ISSN: 0006-3495
DOI: 10.1016/j.bpj.2008.12.2077