BBK (Branch and Bound Over K): A Provable and Efficient Ensemble-Based Protein Design Algorithm to Optimize Stability and Binding Affinity Over Large Sequence Spaces

Computational protein design (CPD) algorithms that compute binding affinity, K , search for sequences with an energetically favorable free energy of binding. Recent work shows that three principles improve the biological accuracy of CPD: ensemble-based design, continuous flexibility of backbone and...

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Vydáno v:	Journal of computational biology Ročník 25; číslo 7; s. 726
Hlavní autoři:	Ojewole, Adegoke A, Jou, Jonathan D, Fowler, Vance G, Donald, Bruce R
Médium:	Journal Article
Jazyk:	angličtina
Vydáno:	United States 01.07.2018
Témata:	Algorithms Amino Acid Sequence - genetics Computational Biology - methods Entropy Humans Models, Molecular Protein Conformation Proteins - chemistry Software molecular ensembles sublinear algorithms structural biology OSPREY predicting binding affinity protein design
ISSN:	1557-8666, 1557-8666
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