/home/user/rosetta/source/bin/rosetta_scripts -s /home/user/flex_ddG_tutorial/inputs/1JTG/1JTG_AB.pdb -parser:protocol /home/user/flex_ddG_tutorial/ddG-backrub.xml -parser:script_vars chainstomove=B mutate_resfile_relpath=/home/user/flex_ddG_tutorial/inputs/1JTG/nataa_mutations.resfile...
参考1: Flex ddG: Rosetta Ensemble-Based Estimation of Changes in Protein-Protein Binding Affinity Upon Mutation 参考2:https://github.com/Kortemme-Lab/flex_ddG_tutorial 一、前言&计算原理 Rosetta Flex ddG是2018年发布的最新蛋白亲和力成熟模块。其考虑了蛋白质复合物界面的骨架柔性,使用多构象集合评估平均...
Rosetta Flex ddG是2018年发布的最新蛋白亲和力成熟模块。其考虑了蛋白质复合物界面的骨架柔性,使用多构象集合评估平均的突变结合自由能变,并使用GAM模型对能量打分进行校正,使其更加符合实验结果。 通过大量测试结果表明,Rosetta Flex ddG模块在预测Small-to-lar...
Before proceeding, please follow our shorttutorial. Look at the examples given and try to understand the logic behind them. Then, try to solve the exercises below by using R without looking at the answers. Then, check thesolutionsto check your answers. Exercise 1 Create a new flexdashboard ...