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Abstract Details
Activity Number:
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105
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Type:
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Invited
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Date/Time:
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Monday, August 1, 2011 : 8:30 AM to 10:20 AM
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Sponsor:
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IMS
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Abstract - #300113 |
Title:
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Sequential Monte Carlo Methods in Protein Folding
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Author(s):
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Samuel Kou*+
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Companies:
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Harvard University
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Address:
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Department of Statistics, Cambridge, MA, 02138, USA
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Keywords:
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energy function ;
structure predictoin ;
conditional sampling ;
sequential growth ;
configurational bias Monte Carlo ;
protein conformation
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Abstract:
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Predicting the native structure of a protein from its amino acid sequence is a long standing problem. A significant bottleneck of computational prediction is the lack of efficient sampling algorithms to explore of the configuration space of a protein. In this talk we will introduce a sequential Monte Carlo method to address this challenge: fragment regrowth via energy-guided sequential sampling (FRESS). The FRESS algorithm combines statistical learning (namely, learning from the protein data bank) with sequential sampling to guide the computation, resulting in a fast and effective exploration of the configurations. We will illustrate the FRESS algorithm with both lattice protein model and real proteins.
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