Molecular Modeling Methods Ab Initio Protein Structure分子模拟方法和从头蛋白质结构.ppt

Molecular Modeling Methods Ab Initio Protein Structure Prediction By Haiyan Jiang Oct. 16, 2006 About me 2003, Ph.D in Computational Chemistry, University of Science and Technology of China Research: New algorithms in molecular structure optimization 2004~2006, Postdoc, Computational Biology, Dalhousie University Research: Protein loop structure and the evolution of protein domain Publications Haiyan Jiang, Christian Blouin, Ab Initio Construction of All-atom Loop Conformations, Journal of Molecular Modeling, 2006, 12, 221-228. Ferhan Siddiqi, Jennifer R. Bourque, Haiyan Jiang, Marieke Gardner, Martin St. Maurice, Christian Blouin, and Stephen L. Bearne, Perturbing the Hydrophobic Pocket of Mandelate Racemase to Probe Phenyl Motion During Catalysis, Biochemistry, 2005, 44, 9013-9021. (Responsible for building the simulation model and performing molecular dynamics study) Yuhong Xiang, Haiyan Jiang, Wensheng Cai, and Xueguang Shao, An Efficient Method Based on Lattice Construction and the Genetic Algorithm for Optimization of Large Lennard-Jones Clusters, Journal of Physical Chemistry A, 2004, 108, 3586-3592. Xueguang Shao, Haiyan Jiang, Wensheng Cai, Parallel Random Tunneling Algorithm for Structural Optimization of Lennard-Jones Clusters up to N=330, Journal of Chemical Information and Computer Sciences, 2004, 44, 193-199. Publications Haiyan Jiang, Wensheng Cai, Xueguang Shao., New Lowest Energy Sequence of Marks’ Decahedral Lennard-Jones Clusters Containing up to 10000 atoms, Journal of Physical Chemistry A, 2003, 107, 4238-4243. Wensheng Cai, Haiyan Jiang, Xueguang Shao., Global Optimization of Lennard-Jones Clusters by a Parallel Fast Annealing Evolutionary Algorithm, Journal of Chemical Information and Computer Sciences, 2002, 42, 1099-1103. Haiyan Jiang, Wensheng Cai, Xueguang Shao., A Random Tunneling Algorithm for Structural Optimization Problem, Physical Chemistry and Chemical Physics, 2002, 4, 4782-4788. Xueguang Shao, Haiyan Jiang, Wensheng Cai.,