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A multi-template combination algorithm for protein comparative modeling.

ABSTRACT: Multiple protein templates are commonly used in manual protein structure prediction. However, few automated algorithms of selecting and combining multiple templates are available.Here we develop an effective multi-template combination algorithm for protein comparative modeling. The algorithm selects templates according to the similarity significance of the alignments between template and target proteins. It combines the whole template-target alignments whose similarity significance score is close to that of the top template-target alignment within a threshold, whereas it only takes alignment fragments from a less similar template-target alignment that align with a sizable uncovered region of the target. We compare the algorithm with the traditional method of using a single top template on the 45 comparative modeling targets (i.e. easy template-based modeling targets) used in the seventh edition of Critical Assessment of Techniques for Protein Structure Prediction (CASP7). The multi-template combination algorithm improves the GDT-TS scores of predicted models by 6.8% on average. The statistical analysis shows that the improvement is significant (p-value < 10-4). Compared with the ideal approach that always uses the best template, the multi-template approach yields only slightly better performance. During the CASP7 experiment, the preliminary implementation of the multi-template combination algorithm (FOLDpro) was ranked second among 67 servers in the category of high-accuracy structure prediction in terms of GDT-TS measure.We have developed a novel multi-template algorithm to improve protein comparative modeling.

SUBMITTER: Cheng J

PROVIDER: S-EPMC2311309 | biostudies-literature | 2008

REPOSITORIES: biostudies-literature

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A multi-template combination algorithm for protein comparative modeling.

Cheng Jianlin J

BMC structural biology 20080317

<h4>Background</h4>Multiple protein templates are commonly used in manual protein structure prediction. However, few automated algorithms of selecting and combining multiple templates are available.<h4>Results</h4>Here we develop an effective multi-template combination algorithm for protein comparative modeling. The algorithm selects templates according to the similarity significance of the alignments between template and target proteins. It combines the whole template-target alignments whose si ...[more]

PMID: 18366648

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Project description:Numerous neurological disorders are associated with atrophy of mesiotemporal lobe structures, including the hippocampus (HP), amygdala (AM), and entorhinal cortex (EC). Accurate segmentation of these structures is, therefore, necessary for understanding the disease process and patient management. Recent multiple-template segmentation algorithms have shown excellent performance in HP segmentation. Purely surface-based methods precisely describe structural boundary but their performance likely depends on a large template library, as segmentation suffers when the boundaries of template and individual MRI are not well aligned while volume-based methods are less dependent. So far only few algorithms attempted segmentation of entire mesiotemporal structures including the parahippocampus. We compared performance of surface- and volume-based approaches in segmenting the three mesiotemporal structures and assess the effects of different environments (i.e., size of templates, under pathology). We also proposed an algorithm that combined surface- with volume-derived similarity measures for optimal template selection. To further improve the method, we introduced two new modules: (1) a non-linear registration that is driven by volume-based intensities and features sampled on deformable template surfaces; (2) a shape averaging based on regional weighting using multi-scale global-to-local icosahedron sampling. Compared to manual segmentations, our approach, namely HybridMulti showed high accuracy in 40 healthy controls (mean Dice index for HP/AM/EC = 89.7/89.3/82.9%) and 135 patients with temporal lobe epilepsy (88.7/89.0/82.6%). This accuracy was comparable across two different datasets of 1.5T and 3T MRI. It resulted in the best performance among tested multi-template methods that were either based on volume or surface data alone in terms of accuracy and sensitivity to detect atrophy related to epilepsy. Moreover, unlike purely surface-based multi-template segmentation, HybridMulti could maintain accurate performance even with a 50% template library size.

Dataset Information

A multi-template combination algorithm for protein comparative modeling.

Publications

A multi-template combination algorithm for protein comparative modeling.

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