AlphaFold illuminates half of the dark human proteins.
AlphaFold illuminates half of the dark human proteins.
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DOI：
10.1016/j.sbi.2022.102372
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发表时间：
2022-06
影响因子：
6.8
通讯作者：
Oprea, Tudor, I
中科院分区：
文献类型：
--
作者：
Binder, Jessica L.;Berendzen, Joel;Stevens, Amy O.;He, Yi;Wang, Jian;Dokholyan, Nikolay, V;Oprea, Tudor, I
关键词：
我们研究了使用置信度分数来评估给定的AlphaFold(AF2)蛋白质模型用于药物发现的准确性。由于失序的影响，不考虑低于80的置信度分数，从而提高了预测的准确性。在一组最近的晶体结构中，95%可能有准确的折叠。训练集中的构象不一致比序列发散对准确性的影响要大得多。我们提出了可能对虚拟筛选有用的模型和残基的标准。基于这些标准，AF2提供了一半未被研究的(暗)人类蛋白质和这些模型中三分之二的残基的模型。
We investigate the use of confidence scores to evaluate the accuracy of a given AlphaFold (AF2) protein model for drug discovery. Prediction of accuracy is improved by not considering confidence scores below 80 due to the effects of disorder. On a set of recent crystal structures, 95% are likely to have accurate folds. Conformational discordance in the training set has a much more significant effect on accuracy than sequence divergence. We propose criteria for models and residues that are possibly useful for virtual screening. Based on these criteria, AF2 provides models for half of understudied (dark) human proteins and two-thirds of residues in those models.
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影响因子：
14.9
作者：
Blum M;Chang HY;Chuguransky S;Grego T;Kandasaamy S;Mitchell A;Nuka G;Paysan-Lafosse T;Qureshi M;Raj S;Richardson L;Salazar GA;Williams L;Bork P;Bridge A;Gough J;Haft DH;Letunic I;Marchler-Bauer A;Mi H;Natale DA;Necci M;Orengo CA;Pandurangan AP;Rivoire C;Sigrist CJA;Sillitoe I;Thanki N;Thomas PD;Tosatto SCE;Wu CH;Bateman A;Finn RD
通讯作者：
Finn RD
影响因子：
14.9
作者：
Mistry J;Chuguransky S;Williams L;Qureshi M;Salazar GA;Sonnhammer ELL;Tosatto SCE;Paladin L;Raj S;Richardson LJ;Finn RD;Bateman A
通讯作者：
Bateman A
影响因子：
14.9
作者：
Avram S;Bologa CG;Holmes J;Bocci G;Wilson TB;Nguyen DT;Curpan R;Halip L;Bora A;Yang JJ;Knockel J;Sirimulla S;Ursu O;Oprea TI
通讯作者：
Oprea TI
影响因子：
64.8
作者：
Jumper J;Evans R;Pritzel A;Green T;Figurnov M;Ronneberger O;Tunyasuvunakool K;Bates R;Žídek A;Potapenko A;Bridgland A;Meyer C;Kohl SAA;Ballard AJ;Cowie A;Romera-Paredes B;Nikolov S;Jain R;Adler J;Back T;Petersen S;Reiman D;Clancy E;Zielinski M;Steinegger M;Pacholska M;Berghammer T;Bodenstein S;Silver D;Vinyals O;Senior AW;Kavukcuoglu K;Kohli P;Hassabis D
通讯作者：
Hassabis D
影响因子：
2.9
作者：
Dunker, AK;Lawson, JD;Obradovic, Z
通讯作者：
Obradovic, Z