Resolution Exchange Simulation with Incremental Coarsening
نویسندگان
چکیده
منابع مشابه
Resolution Exchange Simulation with Incremental Coarsening.
We previously developed an algorithm, called "resolution exchange", which improves canonical sampling of atomic resolution models by swapping conformations between high- and low-resolution simulations. Here, we demonstrate a generally applicable incremental coarsening procedure and apply the algorithm to a larger peptide, met-enkephalin. In addition, we demonstrate a combination of resolution a...
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ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2006
ISSN: 1549-9618,1549-9626
DOI: 10.1021/ct050337x