Protein Folding / Bioinformatics
Predicting protein structure and function from sequence information
Protein Structure Prediction
One of the major goals of modern computational biology and biophysics is to predict 3D structure and function of protein from the sequence information.
- Protein secondary & tertiary structure prediction
- Bioinformatics
Molecular Replacement and High Accuracy Protein Modeling
Molecular replacement (MR) technique is to solve the phase problem in x-ray crystallography. High-accuracy protein 3D modeling for backbones as well as side-chains can boost up the success rate of molecular replacement technique allowing us to solve the phase problem in x-ray crystallography without requiring additional experiments with high cost efforts.
- Molecular Replacement
- Structure Refinement
Structure Determination by NMR Restraints Optimization
Solution NMR structures are determined by optimization of NOE distance and backbone dihedral restraints. Powerful global optimization method can generate protein 3D structures with high quality atomic details.
Protein-Protein & Protein-Ligand Docking
Computational protein-protein and protein-ligand docking simulation is used to predict the binding orientation between them. It plays an important role for the screening in the rational design of drugs.
Research Focus Areas
Structure Prediction
Secondary & tertiary structures
X-ray Crystallography
Molecular replacement
NMR Spectroscopy
Structure determination
Drug Design
Protein-ligand docking