参考1:https://www.rosettacommons.org/demos/latest/tutorials/Protein-Protein-Docking/Protein-Protein-Docking 参考2: Protein–Protein Docking with Backbone Flexibility 参考3: Conformer Selection and Induced Fit in Flexible Backbone Protein–Protein Docking Using Computational and NMR Ensembles 参考4: High-...
如果不想使用motif_dock_score, 只要将与mh相关以及-docking_low_res_score motif_dock_score的flag删除即可。motifdock_score bin的绝对路径例子: `/usr/local/rosetta_src_2019.21.60746_bundle/main/database/additional_protocol_data/motif_dock/xh_16`Example1: 运行local_dock标准计算流程docking_protocol.linu...
有几个Rosetta程序,要求它们所比较的东西之间有恒定的序列长度,比如docking_protocol,如果出现零占用原子,它甚至可能会崩溃,而没有信息性的错误信息。 为了解决这个问题,我们需要使用一个选项类-ignore_zero_occupancy,该选项默认设置为true。添加选项-ignore_zero_occupancy false将强制Rosetta读取占用率为0的原子,如下所...
To alleviate model uncertainty, antibody–antigen docking resamples CDR loop conformations and can use multiple models to represent an ensemble of conformations for the antibody, the antigen or both. These protocols can be run fully automated via the ROSIE web server (http://rosie.rosettacommons....
jupyter-notebookdnarosettarna-structure-predictionprotein-designprotein-foldingprotein-structure-predictiongoogle-colabpyrosettaprotein-docking UpdatedAug 12, 2024 Jupyter Notebook billycastelli/Silicon-Info Star285 Mac menu bar tool to view the architecture of the running application ...
To make Rosetta protocols available to a wider audience, we previously created a web server called Rosetta Online Server that Includes Everyone (ROSIE), which provides a common environment for hosting web-accessible Rosetta protocols. Here we describe a simplification of the ROSIE protocol ...
谢谢!敢问下前辈:我用的是Rosetta 网页版,http://rosettaserver.graylab.jhu.edu/docking/submit是不是必须装Rosetta才能进Rosetta flexpep模块?谢谢前辈~!!!... http://flexpepdock.furmanlab.cs.huji.ac.il/ 哈哈~看看是不是这个~~~ jamesxue 前辈,太给力了!!!小弟这就开始学习!! zh1987hs 5楼: Origi...
The HADDOCK2.2 web server: user-friendly integrative modeling of biomolecular complexes. J. Mol. Biol. 428, 720–725 (2016). PubMed Google Scholar Pierce, B. G. et al. ZDOCK server: interactive docking prediction of protein-protein complexes and symmetric multimers. Bioinformatics 30, 1771–...
The power of RosettaDock was highlighted in the recent blindCAPRIprotein-protein docking challenge that was held in December 2004. In CAPRI, predictors are given the structures of two proteins known to form a complex, and challenged to predict the structure of the complex. RosettaDock predictions...
Pierce, B. G. et al. ZDOCK server: interactive docking prediction of protein-protein complexes and symmetric multimers.Bioinformatics30, 1771–1773 (2014). CASPubMedPubMed CentralGoogle Scholar Padhorny, D. et al. Protein-protein docking by fast generalized Fourier transforms on 5D rotational mani...