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第二抗体建模评估(AMA-II)。

Second antibody modeling assessment (AMA-II).

作者信息

Almagro Juan C, Teplyakov Alexey, Luo Jinquan, Sweet Raymond W, Kodangattil Sreekumar, Hernandez-Guzman Francisco, Gilliland Gary L

机构信息

CTI Boston, Pfizer Inc., 3 Blackfan Circle, 18 Floor, Boston, MA, 02115.

出版信息

Proteins. 2014 Aug;82(8):1553-62. doi: 10.1002/prot.24567. Epub 2014 Apr 26.

Abstract

To assess the state of the art in antibody 3D modeling, 11 unpublished high-resolution x-ray Fab crystal structures from diverse species and covering a wide range of antigen-binding site conformations were used as a benchmark to compare Fv models generated by seven structure prediction methodologies. The participants included: Accerlys Inc, Chemical Computer Group (CCG), Schrodinger, Jeff Gray's lab at John Hopkins University, Macromoltek, Astellas Pharma/Osaka University and Prediction of ImmunoGlobulin Structure (PIGS). The sequences of benchmark structures were submitted to the modelers and PIGS, and a set of models were generated for each structure. We provide here an overview of the organization, participants and main results of this second antibody modeling assessment (AMA-II). Also, we compare the results with the first antibody assessment published in this journal (Almagro et al., 2011;79:3050).

摘要

为评估抗体三维建模的当前技术水平,11个来自不同物种、涵盖广泛抗原结合位点构象的未发表高分辨率X射线Fab晶体结构被用作基准,以比较由七种结构预测方法生成的Fv模型。参与者包括:Accerlys公司、化学计算机集团(CCG)、薛定谔公司、约翰霍普金斯大学的杰夫·格雷实验室、Macromoltek公司、安斯泰来制药/大阪大学以及免疫球蛋白结构预测(PIGS)。基准结构的序列被提交给建模者和PIGS,针对每个结构生成了一组模型。在此,我们概述了第二次抗体建模评估(AMA-II)的组织情况、参与者和主要结果。此外,我们还将结果与本期刊发表的首次抗体评估结果(阿尔马格罗等人,2011年;79:3050)进行了比较。

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