ANEW APPROACH TO HOMOLOGY MODELING

TASK Quarterly

S. RACKOVSKY¹  H. A. SCHERAGA¹  YI HE¹ 

[1] Cornell University, Baker Laboratory of Chemistry and Chemical Biology;

关键词: protein structure prediction;    physical properties;    Kidera factors;    Fourier transformation;    coarse-grained force field;   

DOI  :  10.17466/TQ2014/18.3/A

来源: DOAJ

【 摘 要 】

The need to interpret experimental results led to, first, an all-atom force field, followed by a coarse-grained one. As an aid to these force fields, a new approach is introduced here to predict protein structure based on the physical properties of the amino acids. This approach includes three key components: Kidera factors describing the physical properties, Fourier transformation and UNRES coarse grained force field simulations. Different from traditional homology modeling methods which are based on evolution, this approach is physics-based, and does not have the same weaknesses as the traditional homology modeling methods. Our results show that this approach can produce above average prediction results, and can be used as a useful tool for protein structure prediction.

【 授权许可】

Unknown