Novel formulations for the sequence selection problem in de novo protein design with flexible templates

DOI10.1080/10556780600882041zbMath1116.92027OpenAlexW2165465265MaRDI QIDQ5758166

Ho Ki Fung, Christodoulos A. Floudas, Martin S. Taylor

Publication date: 3 September 2007

Published in: Optimization Methods and Software (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1080/10556780600882041

zbMATH Keywords

optimizationstructure predictiondrug designde novo protein designpeptide and protein design and discovery\(in silico\) sequence selectionprotein backbone flexibility

Mathematics Subject Classification ID

Related Items (4)

SOME EXPERIENCES WITH SOLVING SEMIDEFINITE PROGRAMMING RELAXATIONS OF BINARY QUADRATIC OPTIMIZATION MODELS IN COMPUTATIONAL BIOLOGY ⋮ Protein structure optimization by side-chain positioning via beta-complex ⋮ Overcoming the Key Challenges in De Novo Protein Design: Enhancing Computational Efficiency and Incorporating True Backbone Flexibility ⋮ Global optimality conditions for quadratic \(0-1\) optimization problems

Uses Software

• CPLEX
• alphaBB

Cites Work

• Unnamed Item
• A reformulation-linearization technique for solving discrete and continuous nonconvex problems
• Computational comparison studies of quadratic assignment like formulations for the in silico sequence selection problem in De Novo protein design

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