关键词: Free energy calculations PPI Protein–protein binding affinity Protein–protein interaction

Mesh : Software Protein Binding Proteins / metabolism chemistry genetics Mutation Thermodynamics Computational Biology / methods Protein Interaction Mapping / methods Humans

来  源:   DOI:10.1007/978-1-0716-3985-6_9

Abstract:
Protein-protein binding affinity prediction is important for understanding complex biochemical pathways and to uncover protein interaction networks. Quantitative estimation of the binding affinity changes caused by mutations can provide critical information for protein function annotation and genetic disease diagnoses. The binding free energies of protein-protein complexes can be predicted using several computational tools. This chapter is a summary of software developed for the prediction of binding free energies for protein-protein complexes and their mutants.
摘要:
蛋白质-蛋白质结合亲和力预测对于理解复杂的生化途径和揭示蛋白质相互作用网络很重要。由突变引起的结合亲和力变化的定量估计可以为蛋白质功能注释和遗传性疾病诊断提供关键信息。可以使用几种计算工具来预测蛋白质-蛋白质复合物的结合自由能。本章是为预测蛋白质-蛋白质复合物及其突变体的结合自由能而开发的软件的摘要。
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