What Have We Learned from Design of Function in Large Proteins?

作     者：Olga Khersonsky Sarel J.Fleishman 

作者机构：Department of Biomolecular SciencesWeizmann Institute of ScienceRehovot 7610001Israel 

基　　金：a European Research Council Consolidator Award(815379) the Israel Science Foundation(1844) the Volkswagen Foundation(94747) the Dr.Barry Sherman Institute for Medicinal Chemistry a charitable donation in memory of Sam Switzer 

出 版 物：《BioDesign Research》 (生物设计研究（英文）)

年 卷 期：2022年第2022卷第1期

页      码：358-368页

摘      要：The overarching goal of computational protein design is to gain complete control over protein structure and *** majority of sophisticated binders and enzymes,however,are large and exhibit diverse and complex folds that defy atomistic design ***,recent strategies that combine evolutionary constraints from natural homologs with atomistic calculations have significantly improved design *** these approaches,evolutionary constraints mitigate the risk from misfolding and aggregation,focusing atomistic design calculations on a small but highly enriched sequence *** methods have dramatically optimized diverse proteins,including vaccine immunogens,enzymes for sustainable chemistry,and proteins with therapeutic *** new generation of deep learning-based ab initio structure predictors can be combined with these methods to extend the scope of protein design,in principle,to any natural protein of known *** envision that protein engineering will come to rely on completely computational methods to efficiently discover and optimize biomolecular activities.

主 题 词：vaccine constraints aggregation 

学科分类：1002[医学-临床医学类] 100214[100214] 0836[0836] 10[医学] 

D　O　I：10.34133/2022/9787581

馆 藏 号：203114641...