Biblio
Found 3 results
Filters: Author is Caflisch, A. and Keyword is Scalable algorithm [Clear All Filters]
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2015. A molecular simulation protocol to avoid sampling redundancy and discover new states. Biochimica et Biophysica Acta (BBA) - General Subjects. 1850(5):889-902.
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2015. Weighted distance functions improve analysis of high-dimensional data: Application to molecular dynamics simulations. Journal of Chemical Theory and Computation. 11(11):5481-5492.
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2013. A scalable algorithm to order and annotate continuous observations reveals the metastable states visited by dynamical systems. Computer Physics Communications. 184(11):2446-2453.