CUPSAT: prediction of protein stability upon point mutations.
CUPSAT: prediction of protein stability upon point mutations.
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DOI：
10.1093/nar/gkl190
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发表时间：
2006-07-01
影响因子：
14.9
通讯作者：
Schomburg D
中科院分区：
文献类型：
--
作者：
Parthiban V;Gromiha MM;Schomburg D
CUPSAT(科隆大学蛋白质稳定性分析工具)是一个网络工具，用于分析和预测点突变(单一氨基酸突变)时蛋白质稳定性的变化。该程序使用结构环境特定原子势和扭转角势来预测ΔΔG，即野生型和突变型蛋白质之间展开自由能的差异。它要求蛋白质数据库格式的蛋白质结构和残基的位置发生突变。输出包括关于突变位点及其结构特征(溶剂可及性、二级结构和扭转角)的信息，以及关于特定氨基酸突变的19个可能替代的蛋白质稳定性变化的综合信息。此外，它还分析了突变氨基酸适应观察到的扭转角的能力。对1538个热变性突变和1603个化学变性突变进行了检测。为了确保预测方法的可靠性、准确性和可转换性，进行了几项验证测试(裂样、刀刀法和k-折法)，该方法在大多数验证测试中提供了80%的预测准确率。因此，该程序是分析蛋白质设计和稳定性的有价值的工具。该工具可通过链接访问。
CUPSAT (Cologne University Protein Stability Analysis Tool) is a web tool to analyse and predict protein stability changes upon point mutations (single amino acid mutations). This program uses structural environment specific atom potentials and torsion angle potentials to predict ΔΔG, the difference in free energy of unfolding between wild-type and mutant proteins. It requires the protein structure in Protein Data Bank format and the location of the residue to be mutated. The output consists information about mutation site, its structural features (solvent accessibility, secondary structure and torsion angles), and comprehensive information about changes in protein stability for 19 possible substitutions of a specific amino acid mutation. Additionally, it also analyses the ability of the mutated amino acids to adapt the observed torsion angles. Results were tested on 1538 mutations from thermal denaturation and 1603 mutations from chemical denaturation experiments. Several validation tests (split-sample, jack-knife and k-fold) were carried out to ensure the reliability, accuracy and transferability of the prediction method that gives >80% prediction accuracy for most of these validation tests. Thus, the program serves as a valuable tool for the analysis of protein design and stability. The tool is accessible from the link .
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影响因子：
5.6
作者：
Guerois, R;Nielsen, JE;Serrano, L
通讯作者：
Serrano, L
DOI：
10.1093/protein/12.7.549
发表时间：
1999-07-01
期刊：
PROTEIN ENGINEERING
影响因子：
--
作者：
Gromiha, MM;Oobatake, M;Sarai, A
通讯作者：
Sarai, A
影响因子：
2.9
作者：
Saraboji, K;Gromiha, MM;Ponnuswamy, MN
通讯作者：
Ponnuswamy, MN
影响因子：
8
作者：
Zhou, HY;Zhou, YQ
通讯作者：
Zhou, YQ
I-Mutant2.0：预测蛋白质序列或结构突变的稳定性变化。
影响因子：
14.9
作者：
Capriotti, E;Fariselli, P;Casadio, R
通讯作者：
Casadio, R