Self Organizing Maps to efficiently cluster and functionally interpret protein conformational ensembles
An approach that combines Self-Organizing maps, hierarchical clustering and network components is presented, aimed at comparing protein conformational ensembles obtained from multiple Molecular Dynamic simulations. As a first result the original ensembles can be summarized by using only the represen...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Open Publishing Association
2013-09-01
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| Series: | Electronic Proceedings in Theoretical Computer Science |
| Online Access: | http://arxiv.org/pdf/1309.7694v1 |