Toward complete rational control over protein structure and function through computational design.
Toward complete rational control over protein structure and function through computational design.
复制标题
通过计算机设计实现对蛋白质结构和功能的完全合理控制。
DOI：
10.1016/j.sbi.2020.10.015
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发表时间：
2021-03
影响因子：
6.8
通讯作者：
Bahl CD
中科院分区：
文献类型：
--
作者：
Adolf-Bryfogle J;Teets FD;Bahl CD
蛋白质设计的最大挑战是生产具有任意功能、构象和生化性质的多肽的通用方法。为此，已经开发了各种各样的方法来改进天然蛋白质，从头设计理想蛋白质，以及重新设计具有更好表现的亚结构的次优蛋白质。这些方法采用功能-结构-序列关系的信息学比较以及蛋白质性质的基于知识的评估，以将巨大的蛋白质序列搜索空间缩小到可识别的并且通常可手动评估的满足指定标准的结构集。虽然蛋白质-蛋白质界面和分子催化的任意操纵仍然是一个未解决的问题，并且没有蛋白质形状或行为操纵算法是普遍适用的，但迄今为止有希望的结果是一个强有力的指标，即任意操纵多肽的一般方法是可以实现的。
The grand challenge of protein design is a general method for producing a polypeptide with arbitrary functionality, conformation, and biochemical properties. To that end, a wide variety of methods have been developed for the improvement of native proteins, the design of ideal proteins de novo, and the redesign of suboptimal proteins with better-performing substructures. These methods employ informatic comparisons of function-structure-sequence relationships as well as knowledge-based evaluation of protein properties to narrow the immense protein sequence search space down to an enumerable and often manually evaluable set of structures that meet specified criteria. While arbitrary manipulation of protein-protein interfaces and molecular catalysis remains an unsolved problem, and no protein shape or behavior manipulation algorithm is universally applicable, the promising results thus far are a strong indicator that a general approach to the arbitrary manipulation of polypeptides is within reach.
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影响因子：
5.6
作者：
Grigoryan G;Degrado WF
通讯作者：
Degrado WF
影响因子：
64.8
作者：
Chevalier A;Silva DA;Rocklin GJ;Hicks DR;Vergara R;Murapa P;Bernard SM;Zhang L;Lam KH;Yao G;Bahl CD;Miyashita SI;Goreshnik I;Fuller JT;Koday MT;Jenkins CM;Colvin T;Carter L;Bohn A;Bryan CM;Fernández-Velasco DA;Stewart L;Dong M;Huang X;Jin R;Wilson IA;Fuller DH;Baker D
通讯作者：
Baker D
影响因子：
64.8
作者：
Bhardwaj, Gaurav;Mulligan, Vikram Khipple;Bahl, Christopher D.;Gilmore, Jason M.;Harvey, Peta J.;Cheneval, Olivier;Buchko, Garry W.;Pulavarti, Surya V. S. R. K.;Kaas, Quentin;Eletsky, Alexander;Huang, Po-Ssu;Johnsen, William A.;Greisen, Per Jr;Rocklin, Gabriel J.;Song, Yifan;Linsky, Thomas W.;Watkins, Andrew;Rettie, Stephen A.;Xu, Xianzhong;Carter, Lauren P.;Bonneau, Richard;Olson, James M.;Coutsias, Evangelos;Correnti, Colin E.;Szyperski, Thomas;Craik, David J.;Baker, David
通讯作者：
Baker, David
DOI：
10.1093/protein/14.8.529
发表时间：
2001-08-01
期刊：
PROTEIN ENGINEERING
影响因子：
--
作者：
Arai, R;Ueda, H;Nagamune, T
通讯作者：
Nagamune, T
影响因子：
14.8
作者：
Dagliyan, Onur;Dokholyan, Nikolay, V;Hahn, Klaus M.
通讯作者：
Hahn, Klaus M.