Integration of template‐based modeling, global sampling and precise scoring is crucial for the development of molecular docking programs with improved accuracy. We combined template‐based modeling and ab‐initio docking protocol as hybrid docking strategy called CoDock for the docking and scoring experiments of the seventh CAPRI edition. For CAPRI rounds 38‐45, we obtained acceptable or better models in the top 10 submissions for eight out of the 16 evaluated targets as predictors, nine out of the 16 targets as scorers. Especially, we submitted acceptable models for all of the evaluated protein‐oligosaccharide targets. For the CASP13‐CAPRI experiment (round 46), we obtained acceptable or better models in the top 5 submissions for 10 out of the 20 evaluated targets as predictors, 11 out of the 20 targets as scorers. The failed cases for our group were mainly the difficult targets and the protein‐peptide systems in CAPRI and CASP13‐CAPRI experiments. In summary, this CAPRI edition showed that our hybrid docking strategy can be efficiently adapted to the increasing variety of challenges in the field of molecular interactions.

中文翻译：

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在CAPRI中使用CoDock进行基于模板的建模和ab-initio对接。

基于模板的建模，全局采样和精确评分的集成对于开发精度更高的分子对接程序至关重要。我们将基于模板的建模和从头开始对接协议相结合，称为混合对接策略，称为CoDock，用于第七版CAPRI的对接和评分实验。对于CAPRI第38至45轮，我们从16个评估目标中的8个作为预测变量，在16个目标中有9个作为得分手，在前10个提交中获得了可接受或更好的模型。特别是，我们为所有评估的蛋白质-寡糖靶标提交了可接受的模型。对于CASP13-CAPRI实验（第46轮），我们在20个评估目标中有10个作为预测变量，在20个目标中有11个作为得分手，在前5个提交中获得了可接受或更好的模型。我们组的失败案例主要是CAPRI和CASP13-CAPRI实验中的困难靶标和蛋白质-肽系统。总而言之，此CAPRI版本表明我们的混合对接策略可以有效地适应分子相互作用领域中日益增加的各种挑战。