ESyPred3D:: Prediction of proteins 3D structures
ESyPred3D:: Prediction of proteins 3D structures
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DOI：
10.1093/bioinformatics/18.9.1250
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发表时间：
2002-09-01
期刊：
影响因子：
5.8
通讯作者：
Depiereux, E
中科院分区：
文献类型：
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作者：
Lambert, C;Léonard, N;Depiereux, E
动机：同源或比较建模是目前预测蛋白质三维结构最准确的方法。它通常包括四个步骤：（1）数据库搜索以识别结构同源物，（2）目标模板比对，（3）模型构建和优化，以及（4）模型评估。目标模板比对步骤通常被认为是同源建模中最关键的步骤。结果：我们在此介绍 ESyPred3D，一种新的自动化同源建模程序。该方法受益于新的对齐策略提高的对齐性能。通过组合、加权和筛选多个多重比对程序的结果来获得比对。最终的三维结构是使用建模包 MODELLER 构建的。 ESyPred3D 在 CASP4 实验（蛋白质结构预测技术的关键评估）中对 13 个目标进行了测试。与 PSI-BLAST 比对相比，我们的比对策略获得了更好的结果，而与使用相同模板的参与者相比，ESyPred3D 比对是最准确的。
Motivation: Homology or comparative modeling is currently the most accurate method to predict the three-dimensional structure of proteins. It generally consists in four steps: (1) databanks searching to identify the structural homolog, (2) target-template alignment, (3) model building and optimization, and (4) model evaluation. The target-template alignment step is generally accepted as the most critical step in homology modeling.Results: We present here ESyPred3D, a new automated homology modeling program. The method gets benefit of the increased alignment performances of a new alignment strategy. Alignments are obtained by combining, weighting and screening the results of several multiple alignment programs. The final three-dimensional structure is build using the modeling package MODELLER. ESyPred3D was tested on 13 targets in the CASP4 experiment (Critical Assessment of Techniques for Proteins Structural Prediction). Our alignment strategy obtains better results compared to PSI-BLAST alignments and ESyPred3D alignments are among the most accurate compared to those of participants having used the same template.