Application of the information dynamic function on protein structure

【作者】 沈世镒； Gang Hu； Kui Wang； Jianzhao Gao；

【Author】 Shiyi Shen~1,Gang Hu~1,Kui Wang~1,Jianzhao Gao~1 1 the school of mathematical sciences and LPMC,Nankai University,Tianjin,300071,China

【机构】 the school of mathematical sciences and LPMC,Nankai University；

【摘要】 <正>Background:Information Dynamics(ID) is the inverse problem for Dynamics.ID finds and analyzes the rules from the observed data.Nowadays,all kinds of databases collect huge data on the molecular level for different lives,which provide the observation for ID. Methods:Combining with information statistical,portfolio risk and geometric structure methods,we apply the information dynamic function(IDF) on the sequence and 3D structure of protein and proteome. Results: 1.Results on the primary protein sequence analysis,including structure analysis of the Swiss-Prot database.We get the word and dictionary of protein,analysis of homology protein network and the method of whether one sequence can form one protein. 2.Analysis of the protein 3D structure.Construct a geometry model for protein structure based on the PDB-Select database.And build an information dynamic function for protein structure.We also discuss the converge of this function and the dynamic factors. 3.Analysis of the morphological features of protein spatial structure.This part is focus on analysis of structure features of protein,protein-ligand interaction,protein-protein interaction and protein docking.It’s closely related to drug design. Conclusions:information dynamic function is a useful tool to analysis the homology protein network,protein 3D structure and docking of the protein.更多还原

【Abstract】 Background:Information Dynamics(ID) is the inverse problem for Dynamics.ID finds and analyzes the rules from the observed data.Nowadays,all kinds of databases collect huge data on the molecular level for different lives,which provide the observation for ID. Methods:Combining with information statistical,portfolio risk and geometric structure methods,we apply the information dynamic function(IDF) on the sequence and 3D structure of protein and proteome. Results: 1.Results on the primary protein sequence analysis,including structure analysis of the Swiss-Prot database.We get the word and dictionary of protein,analysis of homology protein network and the method of whether one sequence can form one protein. 2.Analysis of the protein 3D structure.Construct a geometry model for protein structure based on the PDB-Select database.And build an information dynamic function for protein structure.We also discuss the converge of this function and the dynamic factors. 3.Analysis of the morphological features of protein spatial structure.This part is focus on analysis of structure features of protein,protein-ligand interaction,protein-protein interaction and protein docking.It’s closely related to drug design. Conclusions:information dynamic function is a useful tool to analysis the homology protein network,protein 3D structure and docking of the protein.更多还原