The ATTRACT protein‐protein docking program has been employed to predict protein‐protein complex structures in CAPRI rounds 38‐45. For 11 out of 16 targets acceptable or better quality solutions have been submitted (~70%). It includes also several cases of peptide‐protein docking and the successful prediction of the geometry of carbohydrate‐protein interactions. The option of combining rigid body minimization and simultaneous optimization in collective degrees of freedom based on elastic network modes was employed and systematically evaluated. Application to a large benchmark set indicates a modest improvement in docking performance compared to rigid docking. Possible further improvements of the docking approach in particular at the scoring and the flexible refinement steps are discussed.

中文翻译：

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采用ATTRACT方法进行粗粒度和原子分辨率的生物分子对接。

ATTRACT蛋白质-蛋白质对接程序已用于预测CAPRI第38-45轮中的蛋白质-蛋白质复杂结构。在16个目标中，有11个已提交可接受或质量更好的解决方案（约70％）。它也包括肽-蛋白质对接的几个案例，以及糖-蛋白质相互作用的几何结构的成功预测。基于弹性网络模式，采用了将刚体最小化与同时自由度组合在一起的自由度相结合的选项，并对其进行了系统地评估。与刚性对接相比，将其应用于较大的基准集表明对接性能有了适度的提高。讨论了对接方法可能的进一步改进，尤其是在评分和灵活细化步骤方面。