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PROTHON: A Local Order Parameter-Based Method for Efficient Comparison of Protein Ensembles

2023-04-13

Abstract excerpt

The comparison of protein conformational ensembles is of central importance in structural biology. However, there are few computational methods for ensemble comparison, and those that are readily available, such as ENCORE, utilize methods that are sufficiently computationally expensive to be prohibitive for large ensembles. Here, a new method is presented for efficient representation and comparison of protein conf...

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Literature Corpus work
aaa5615e-fb00-56b0-a939-d7c9dc392308
DOI
10.1101/2023.04.11.536474
Open publication

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PROTHON: A Local Order Parameter-Based Method for Efficient Comparison of Protein EnsemblesDOI 10.1101/2023.04.11.536474
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