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The Research of Biomolecules Molecular Simulations and Modeling Acquired the Best Application Award in SCA 2013
  English.dicp.cas.cn    Posted:2013-08-23

The 3rd International Conference on Social Computing and its Applications (SCA 2013) is hold in the Huangshan on Aug. 16, 2013. Professor Guohui Li, who works in Laboratory of Molecular modeling and design, State Key Laboratory of Molecular Reaction Dynamics of DICP, acquired the Best Application Award.

Professor Guohui Li acquired this award through the research “The Application of Parallel Method of High Precision and All-purpose Large-scale Protein Molecular Dynamics Simulation”. In this research, the MFCC, which is the most accurate protein potential function, and REMD, which is the best protein conformation sampling technique, are combined to perform the high accuracy protein molecular simulations. The protein system, which contains 106 amino acids, is performed molecular simulation on Tianhe-2 using totally 285 thousand cores, and the parallel efficiency achieved 32.5%. The results of this research provide the new orientation of the application of supercomputers on the life sciences, bio-energy and bio-medicine, etc.

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