Deciphering protein dynamics from NMR data using explicit structure sampling and selection

Yiwen Chen, Sharon L. Campbell, Nikolay V. Dokholyan

Research output: Contribution to journalArticlepeer-review

56 Scopus citations

Abstract

Perhaps one of the most prominent realizations of recent years is the critical role that protein dynamics plays in many facets of cellular function. While characterization of protein dynamics is fundamental to our understanding of protein function, the ability to explicitly detect an ensemble of protein conformations from dynamics data is a paramount challenge in structural biology. Here, we report a new computational method, Sample and Select, for determining the ensemble of protein conformations consistent with NMR dynamics data. This method can be generalized and extended to different sources of dynamics data, enabling broad applicability in deciphering protein dynamics at different timescales. The structural ensemble derived from Sample and Select will provide structural and dynamic information that should aid us in understanding and manipulating protein function.

Original languageEnglish (US)
Pages (from-to)2300-2306
Number of pages7
JournalBiophysical journal
Volume93
Issue number7
DOIs
StatePublished - Oct 2007

All Science Journal Classification (ASJC) codes

  • Biophysics

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