Statistical Energies for Protein DesignAmino Acid Sequences and Backbone Structures

来源 :数学生物物理及分子生物学研讨会(The Mathematical Biophysics and Molecular Bi | 被引量 : 0次 | 上传用户:wangqingj
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  A fundamental goal of protein design is to create artificial proteins that stably fold into well-defined three-dimensional structures,like many natural proteins does.To address this problem,we may divide it into two sub-problems.One is to define protein backbone structures that are actually designable,which means there do exist amino acid sequences that fold into them.The other is to design amino acid sequence for a given backbone structure.To address the second sub-problem,we have developed a backbone-dependent statistical model,ABACUS.It has been experimen-tally shown that for several natural backbone structures of different fold types,de novo sequences designed with ABACUS fold into desired structures with high struc-tural stability.In the meanwhile,we are applying statistical approaches to address the first sub-problem.A statistical energy model for the 3-dimensional arrangements of secondary structural elements,TetraBASE,has been developed and computation-ally tested.For backbone loops connecting secondary structural elements,statistical analysis of properties associated with designability will be discussed.
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