期刊
NUCLEIC ACIDS RESEARCH
卷 38, 期 -, 页码 W569-W575出版社
OXFORD UNIV PRESS
DOI: 10.1093/nar/gkq369
关键词
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资金
- National Science Foundation [EF-0849400, MCB-0744541]
- National Institute of Health Roadmap Initiative in Nanomedicine [2PN2EY016525, 2PN2EY016546]
- DOD
- Genentech Scholars program
The RosettaBackrub server (http://kortemmelab.ucsf.edu/backrub) implements the Backrub method, derived from observations of alternative conformations in high-resolution protein crystal structures, for flexible backbone protein modeling. Backrub modeling is applied to three related applications using the Rosetta program for structure prediction and design: (I) modeling of structures of point mutations, (II) generating protein conformational ensembles and designing sequences consistent with these conformations and (III) predicting tolerated sequences at protein-protein interfaces. The three protocols have been validated on experimental data. Starting from a user-provided single input protein structure in PDB format, the server generates near-native conformational ensembles. The predicted conformations and sequences can be used for different applications, such as to guide mutagenesis experiments, for ensemble-docking approaches or to generate sequence libraries for protein design.
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