DYNACROSS_190927.zip.005

Cleaned up docking Benchmark 5 starting structures (plus CAPRI target T131) and SwarmDock docking results, in PDB format, altogether with CAPRI assessment values (IRMSD, LRMSD, FNAT, FNONNAT, quality). Zip part 5.<br>Reference:M. Torchala, T. Gerguri, R.R.A. Chaleil, P. Gordon, F. Russell, M. Keshani, P.A. Bates, 'Enhanced sampling of protein conformational states for dynamic cross-docking within the protein-protein docking server SwarmDock', Proteins: Structure, Function, and Bioinformatics (2019).本数据集包含经清洗处理的对接基准数据集5（Docking Benchmark 5）的初始结构（附带CAPRI（Critical Assessment of Predicted Interactions）目标T131）以及SwarmDock对接结果，所有文件均采用PDB（Protein Data Bank）格式存储，同时附带CAPRI评估指标值，包括IRMSD（接口根均方偏差，Interface Root Mean Square Deviation）、LRMSD（配体根均方偏差，Ligand Root Mean Square Deviation）、FNAT（天然接触分数，Fraction of Native Contacts）、FNONNAT（非天然接触分数，Fraction of Non-Native Contacts）及质量得分。该数据集为压缩包第5部分。 参考文献：M. Torchala、T. Gerguri、R.R.A. Chaleil、P. Gordon、F. Russell、M. Keshani、P.A. Bates，《SwarmDock蛋白-蛋白对接服务器内动态交叉对接所用的蛋白质构象状态增强采样》，《Proteins: Structure, Function, and Bioinformatics》（2019年）。