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• W2896733487 abstract "The study of energy landscapes has led to a good understanding of how and why proteins and nucleic acids adopt their native structure. Through evolution, sequences have adapted until they exhibit a strongly funneled energy landscape, stabilizing the native fold. Design of artificial biomolecules faces the challenge of creating similar stable, minimally frustrated, and functional sequences. Here we present a biminimization approach, mutational basin-hopping, in which we simultaneously use global optimization to optimize the energy and a target function describing a desired property of the system. This optimization of structure and sequence is a generalized basin-hopping method and produces an efficient design process, which can target properties such as binding affinity or solubility." @default.
• W2896733487 created "2018-10-26" @default.
• W2896733487 creator A5022301289 @default.
• W2896733487 creator A5087726398 @default.
• W2896733487 date "2018-10-09" @default.
• W2896733487 modified "2023-10-18" @default.
• W2896733487 title "Mutational Basin-Hopping: Combined Structure and Sequence Optimization for Biomolecules" @default.
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• W2896733487 doi "https://doi.org/10.1021/acs.jpclett.8b02839" @default.
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• W2896733487 hasPublicationYear "2018" @default.
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