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학술발표회초록보기

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  • 09월 04일 17시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

제114회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Prediction of Protein Structure and Interaction by GALAXY Protein Modeling Programs

등록일
2014년 8월 28일 16시 21분 08초
접수번호
1224
발표코드
PHYS1-4 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
목 10시 : 40분
발표형식
심포지엄
발표분야
물리화학 - Computational Chemistry in Materials and Biology
저자 및
공동저자
석차옥
서울대학교 화학부, Korea
Recently developed GALAXY protein modeling programs are introduced and advantages and disadvantages of these programs are discussed. The GALAXY package consists of the template-based modeling program GalaxyTBM, the loop/terminus modeling program GalaxyLoop, the model refinement program GalaxyRefine, the homo-oligomer prediction program GalaxyGemini, the ligand binding site prediction program GalaxySite, the protein-ligand docking program GalaxyDock, and the protein-protein docking program GalaxyPPDock. These programs have been tested with some success in community-wide competitions Critical Assessment of Techniques for Protein Structure Prediction (CASP) and Critical Assessment of PRediction of Interactions (CAPRI). For the development of these programs, modeling problems have been posed as global optimization problems of designed energy functions. The free energy functions of GALAXY have been carefully designed by combining physical chemistry principles and structure and sequence information. Efficient conformational search methods such as conformational space annealing and triaxial loop closure have been employed. Freely accessible web servers of the modeling programs are available at http://galaxy.seoklab.org, and some programs can be downloaded from http://galaxy.seoklab.org/softwares.

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