Modeling structures and motions of loops in protein molecules

DOI10.3390/e14020252zbMath1303.92034OpenAlexW2160426811WikidataQ58449165 ScholiaQ58449165MaRDI QIDQ406003

Lydia E. Kavraki, Amarda Shehu

Publication date: 8 September 2014

Published in: Entropy (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.3390/e14020252

zbMATH Keywords

structural bioinformaticsequilibrium fluctuationsconformational ensembleloop modelingnative statestructural analysis of proteins

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40)

Cites Work

• Sampling conformation space to model equilibrium fluctuations in proteins
• Differential evolution -- a simple and efficient heuristic for global optimization over continuous spaces
• Resultants and loop closure

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