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Di Wu

Bioinformatics & Computational Biology Student Seminar Series

Structure Determination - An updated algorithm for solving the molecular distance geometric problem with sparse distances

Di Wu
Major professor: Dr Zhijun Wu
BCB major
Iowa State University
Friday, April 17, 2002
1:10 p.m.
1420 Molecular Biology Building

Abstract
An updated geometric build-up algorithm is described for solving a distance geometry problem with sparse distances between some pairs of atoms in a given protein. A linear-time algorithm can be used to solve a distance geometry problem, but only when all distances are available, while a geometric build-up algorithm cannot avoid the error delivery and accumulation, and may end up with a wrong solution. I will describe a method that can resolve the error delivery issue in the geometric build-up algorithm. In this method, the error is controlled at every step by an updated geometric build-up process. Our results show that the updated algorithm solves a set of test problems efficiently and accurately, when only sparse sets of inter-atomic distances are given.


Hua Zhou

Bioinformatics & Computational Biology Student Seminar Series

A Sequential Analysis Problem in Protein Structure Prediction

Hua Zhou
Rotation Professor: Dr. Hal Stern
BCB major
Iowa State University
Friday, April 17, 2002
1:10 p.m.
1420 Molecular Biology Building

Abstract
I am going to talk about a problem I encountered during my rotation with Dr. Hal Stern. We analyzed data from a project in which Dr. Kai-Ming Ho's group is developing a fast protein structural "threading" method. Threading is an approach for predicting the three-dimensional structure of a protein by aligning the amino acid sequence of a "target" protein with representative "template" protein structures. A scoring function is used to evaluate target-template alignments. The best-scoring alignment should identify the template structure most compatible with the target sequence and thus "predict" a meaningful structural model for the target protein. In order to assess the significance of each alignment score (say, X0), the target amino acid sequence is randomly permuted and aligned with the same template structure to get a score Xi ( i = 0, 1, ...). This process is repeated until a decision is reached, with Pr ((X0 - mu) > 6 | X1, ..., Xn) or Pr((X0 - mu) / sigma > 2 | X1, ..., Xn) as the decision criteria. The question we addressed is how to compute these two probabilities. We have tried to approach this question in several ways, e.g., Bayesian framework, non-parametric methods. I will discuss these approaches and present some of the results obtained.


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