IPRO: An iterative computational protein library redesign and optimization procedure

Keyphrases

• Computational Approach 100%
• Protein Library 100%
• Optimization Procedure 100%
• Escherichia Coli 50%
• Methylenetetrahydrofolate Reductase (MTHFR) 50%
• Binding Energy 50%
• Computational Results 50%
• Binding Affinity 50%
• Specific Activity 50%
• Average Binding Energy 50%
• Design Decisions 50%
• Energy-based 50%
• Combinatorial Library 50%
• Rotamers 50%
• One-at-a-time 50%
• Computational Procedures 50%
• Design Iteration 50%
• Energy Score 50%
• Globally Convergent 50%
• Protein Optimization 50%
• Bacillus Subtilis (B. subtilis) 50%
• Scoring Function 50%
• Mixed Integer Linear Programming Formulation 50%
• Protein Redesign 50%
• Re-docking 50%
• Point mutation 50%
• Individual Sequences 50%
• Site-directed mutation 50%
• Combinatorial Protein Library 50%
• Library Quality 50%
• Chimeric Protein 50%

Biochemistry, Genetics and Molecular Biology

• Escherichia coli 100%
• Binding Energy 100%
• Dihydrofolate Reductase 50%
• Binding Affinity 50%
• Combinatorial Library 50%
• Point Mutation 50%
• Fusion Protein 50%
• Bacillus Subtilis 50%

Chemistry

• Primary Structure 100%
• Binding Energy 50%
• Kd 25%
• Dihydrofolates 25%
• Rotamer 25%
• Combinatorial Library 25%