研究领域

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Our laboratory, Laboratory of Protein Informatics, is engaged in the protein informatics researches by developing the international protein structural databases and the structural bioinformatics covering molecular modeling and design. We also perform large scale simulation calculations by parallel computers to examine free energy landscapes and biochemical functions of biomolecular systems with molecular dynamics and quantum chemistry simulations. Protein structure determination by X-ray crystallography is also our aim to understand the structure-function relationships. Research Activities Laboratory of Protein Informatics are engaged in the following protein informatics researches: Development and maintenance of international protein structural databases (PDBj) and structural bioinformatics covering molecular modeling and design. Development of new databases and Web services: eF-site, for protein surface geometry with the physicochemical properties; PreDs, for prediction of the putative double-stranded DNA binding sites of proteins based on the protein molecular surface features; and HINT, Homologous Interaction Database. Structural bioinformatics studies, focusing on protein-protein interactions. Large scale simulation calculations by parallel computers to examine free energy landscapes of biomolecular systems with the hybrid QM (Quantum mechanics) / MM (Molecular mechanics) method for analysis of biochemical reactions. Protein structure determination by X-ray crystallography and protein function analysis.