Computational Design of Ligand Binding Proteins

In silico Identification and Characterization of Protein-Ligand Binding Sites.- Computational Modeling of Small Molecule Ligand Binding Interactions and Affinities.- Binding Site Prediction of Proteins with Organic Compounds or Peptides Using GALAXY Web Servers.- Rosetta and the Design of Ligand Binding Sites.- PocketOptimizer and the Design of Ligand Binding Sites.- Proteus and the Design of Ligand Binding Sites.- A Structure Based Design Protocol for Optimizing Combinatorial Protein Libraries.- Combined and Iterative Use of Computational Design and Directed Evolution for Protein-Ligand Binding Design.- Improving Binding Affinity and Selectivity of Computationally Designed Ligand Binding Proteins Using Experiments.- Computational Design of Multinuclear Metalloproteins Using Unnatural Amino Acids.- De Novo Design of Metalloproteins and Metalloenzymes in a Three-helix Bundle.- Design of Light-Controlled Protein Conformations and Functions.- Computational Introduction of Catalytic Activity into Proteins.- Generating High Accuracy Peptide Binding Data in High Throughput with Yeast Surface Display and SORTCERY.- Design of Specific Peptide-Protein Recognition.- Computational Design of DNA-binding Proteins.- Motif-driven Design of Protein-Protein Interfaces.- Computational Reprogramming of T Cell Antigen Receptor Binding Properties.- Computational Modeling of T Cell Receptor Complexes.- Computational Design of Protein Linkers.- Modeling of Protein-RNA Complex Structures Using Computational Docking Methods.