Overcoming the key challenges in de novo protein design: enhancing computational efficiency and incorporating true backbone flexibility
DOI10.1007/978-3-540-76784-8_4zbMATH Open1382.92209OpenAlexW2099575689MaRDI QIDQ4607140FDOQ4607140
Authors: Christodoulos A. Floudas, Ho Ki Fung, Dimitrios Morikis, Martin S. Taylor, Li Zhang 
Publication date: 12 March 2018
Published in: Applied Optimization (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/978-3-540-76784-8_4
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- scientific article; zbMATH DE number 2130520
de novo protein designbin variablesfold specificity stagetrue protein backbone flexibilityweighted average forcefield
Protein sequences, DNA sequences (92D20) Computational methods for problems pertaining to biology (92-08)
Cites Work
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- Improved Linear Integer Programming Formulations of Nonlinear Integer Problems
- Deterministic global optimization. Theory, methods and applications
- A Linearization Procedure for Quadratic and Cubic Mixed-Integer Problems
- 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
- Novel formulations for the sequence selection problem in de novo protein design with flexible templates
- Reformulating nonlinear combinatorial optimization problems for higher computational efficiency
- Ab initio tertiary structure prediction of proteins
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