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...
通过大量测试结果表明,Rosetta Flex ddG模块在预测Small-to-large mutation组、Multiple mutations, none to alanine组、Single mutation to alanine组以及Antibodies组均较ddG monomer有更优的预测结果。 因此Flex Ddg适用于以下场景: 适合应用于复合物界面上的...
flex-ddG.md Created flex ddG (markdown) Aug 10, 2018 full-options-list.md Test server update for 25b0602362ee7d8b5880e635ca4f86670e545ee0 Dec 5, 2023 rcdocs-config.yml add Thin config file for (non public facing) docs Mar 15, 2021 ...
# Package sudo apt-get install build-essential subversion git-core libncurses5-dev zlib1g-dev gawk flex quilt libssl-dev xsltproc libxml-parser-perl mercurial bzr ecj cvs unzip lib32z1 lib32z1-dev lib32stdc++6 libstdc++6 libc6:i386 libstdc++6:i386 lib32ncurses5 lib32z1 -y # Prepare...