Unraveling low-resolution structural data of large biomolecules by constructing atomic models with e

来源 :第七届全国生物信息学与系统生物学学术大会 | 被引量 : 0次 | 上传用户:zhhq516686
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
  Various low-resolution experimental techniques have gained more and more popularity in obtaining structural information of large biomolecules.In order to interpret the low-resolution structural data properly,one may need to construct an atomic model of the biomolecule by fitting the data using computer simulations.Here we develop,to our knowledge,a new computational tool for such integrative modeling by taking the advantage of an efficient sampling technique called parallel cascade selection (PaCS) simulation.For given low-resolution structural data,this PaCS-Fit method converts it into a scoring function.After an initial simulation starting from a known structure of the biomolecule,the scoring function is used to pick conformations for next cycle of multiple independent simulations.
其他文献
With the coming of the post-genomic age,protein sequences have increased rapidly.It has been a topic issue about using intelligent calculation method to predict the protein subcellular localization.In
Prediction of fold type is a critical step in protein structure prediction[1].we developed two algorithms,HH-fold and SVM-fold for protein fold type prediction.HH-fold is a template-based fold assignm
Calcitonin,a hormone with the ability of reducing serum calcium,is a 32 amino-acid peptide.It has been experimentally observed that calcitonin can undergo self-assembly to form nanoparticles under som
Background: Geobacter sulfurreducens can transfer electrons to extracellular electron acceptors through its pilus[1-3].The G.sulfurreducens pilus,composed of thousands copies of monomers has been repo
GSK-3β (Glycogen synthase kinase-3 beta) and CDK5 (Cyclin dependent kinases 5) are both serine/threonine kinases playing key roles in a large number of cellular processes.The both kinases are highly e
Theoretical prediction of the structure of protein-protein complexes remains an outstanding question.One of the difficulties is that how to recognize the near native protein-protein interfaces from a
Although the "missing protein" is a temporary concept in Chromosome-Centric Human Proteome Project (C-HPP)[1],the biological information for their "missing" could be an irnportant clue in evolutionary
Background: The electrically conductive pili (e-pili)[1]of Geobacter sulfurreducens have environmental and practical significance because of their capability of transferring electrons along the length
Motivation: Proteins usually fulfill their biological functions through interacting with other proteins.Although some methods have been developed to predict the binding sites of a monomer protein,whic
This paper introduces the principles and methods of protein structure alignment,here,taking SPalignNS algorithm and TMalign algorithm for instance,The main content of this paper is that used two algor