Method and apparatus for calculating optimized solution of amino acid sequences of multiple-mutated proteins and storage medium storing program for executing the method

• Main Authors: NAKAI TAKAHISA, MORIKAWA SOUICHI, ISHII KIYOTO
• Format: Patent
• Language: English
• Published: 25.12.2003
• Edition: 7
• Subjects: BEER; BIOCHEMISTRY; CALCULATING; CHEMISTRY; COMPOSITIONS THEREOF; COMPUTING; COUNTING; CULTURE MEDIA; ELECTRIC DIGITAL DATA PROCESSING; ENZYMOLOGY; INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTEDFOR SPECIFIC APPLICATION FIELDS; METALLURGY; MICROBIOLOGY; MICROORGANISMS OR ENZYMES; MUTATION OR GENETIC ENGINEERING; ORGANIC CHEMISTRY; PEPTIDES; PHYSICS; PROPAGATING, PRESERVING OR MAINTAINING MICROORGANISMS; SPIRITS; VINEGAR; WINE

The present invention provides a method for calculating an optimized solution of the amino acid sequences of multiple-mutated proteins. The method comprises searching the three-dimensional structural coordinates of amino acid side chains of the amino acid sequences of members of a multiple-mutated protein population based on the three-dimensional structure data of a template protein population using a dead end elimination algorithm, and executing structural energy minimization calculations for the members, thereby calculating the three-dimensional structural coordinates of an optimum multiple-mutated protein, calculating a characteristic value from the three-dimensional structural coordinates of the optimum multiple-mutated protein, and applying a genetic algorithm to the multiple-mutated protein population to calculate the members which optimize the characteristic value. According to the present invention, an optimum solution can be selected from a multiple-mutated protein population having an enormous number of combinations based on a characteristic value without reducing accuracy and within a short time.