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Minkyung Baek, Frank DiMaio, Ivan V. Anishchenko, Justas Dauparas, Sergey Ovchinnikov, Gyu Rie Lee, Jue Wang, Qian Cong, Lisa N. Kinch, Richard Dustin Schaeffer and 22 more
DeepMind presented notably accurate predictions at the recent 14th Critical Assessment of Structure Prediction (CASP14) conference. We explored network architectures that incorporate related ideas and obtained the best performance with a three-track network in which information at the one-dimensional (1D) sequence level, the 2D distance map level, and the 3D coordinate level is successively transformed and integrated. The three-track network produces structure predictions with accuracies approaching those of DeepMind in CASP14, enables the rapid solution of challenging x-ray crystallography and cryo-electron microscopy structure modeling problems, and provides insights into the functions of proteins of currently unknown structure. The network also enables rapid generation of accurate protein-protein complex models from sequence information alone, short-circuiting traditional approaches that require modeling of individual subunits followed by docking. We make the method available to the scientific community to speed biological research.
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Baek, M., DiMaio, F., Anishchenko, I. V., Dauparas, J., Ovchinnikov, S., Lee, G. R., Wang, J., Cong, Q., Kinch, L. N., Schaeffer, R. D., Millán, C., Park, H., Adams, C., Glassman, C. R., DeGiovanni, A. M., Pereira, J. H., Rodrigues, A. V., Dijk, A. A. V., Ebrecht, A. C., … Baker, D. A. (2021). Accurate prediction of protein structures and interactions using a three-track neural network. Science, 373(6557), 871–876. https://doi.org/10.1126/science.abj8754
Baek, Minkyung, et al. "Accurate prediction of protein structures and interactions using a three-track neural network." Science, vol. 373, no. 6557, 2021, pp. 871–876, https://doi.org/10.1126/science.abj8754.
Baek, Minkyung, Frank DiMaio, Ivan V. Anishchenko, Justas Dauparas, Sergey Ovchinnikov, Gyu Rie Lee, Jue Wang, et al. "Accurate prediction of protein structures and interactions using a three-track neural network." Science 373, no. 6557 (2021): 871–876. https://doi.org/10.1126/science.abj8754.
Baek M., DiMaio F., Anishchenko I. V. [и др.] Accurate prediction of protein structures and interactions using a three-track neural network // Science. — 2021. — Vol. 373, № 6557. — P. 871–876. — URL: https://doi.org/10.1126/science.abj8754
@article{baek2021accurate,
title = {{Accurate prediction of protein structures and interactions using a three-track neural network}},
author = {Minkyung Baek and Frank DiMaio and Ivan V. Anishchenko and Justas Dauparas and Sergey Ovchinnikov and Gyu Rie Lee and Jue Wang and Qian Cong and Lisa N. Kinch and Richard Dustin Schaeffer and Claudia Millán and Hahnbeom Park and Carson Adams and Caleb R. Glassman and Andy M. DeGiovanni and Jose Henrique Pereira and Andria V. Rodrigues and Alberdina Aike van Dijk and Ana C. Ebrecht and Diederik Johannes Opperman and Theo Sagmeister and Christoph Buhlheller and Tea Pavkov‐Keller and Manoj Kumar Rathinaswamy and Udit Dalwadi and Calvin K. Yip and John E. Burke and K. Christopher García and Nick V. Grishin and Paul D. Adams and Randy J. Read and David A. Baker},
journal = {Science},
year = {2021},
volume = {373},
number = {6557},
pages = {871--876},
doi = {10.1126/science.abj8754},
url = {https://doi.org/10.1126/science.abj8754}
}TY - JOUR AU - Baek, Minkyung AU - DiMaio, Frank AU - Anishchenko, Ivan V. AU - Dauparas, Justas AU - Ovchinnikov, Sergey AU - Lee, Gyu Rie AU - Wang, Jue AU - Cong, Qian AU - Kinch, Lisa N. AU - Schaeffer, Richard Dustin AU - Millán, Claudia AU - Park, Hahnbeom AU - Adams, Carson AU - Glassman, Caleb R. AU - DeGiovanni, Andy M. AU - Pereira, Jose Henrique AU - Rodrigues, Andria V. AU - Dijk, Alberdina Aike van AU - Ebrecht, Ana C. AU - Opperman, Diederik Johannes AU - Sagmeister, Theo AU - Buhlheller, Christoph AU - Pavkov‐Keller, Tea AU - Rathinaswamy, Manoj Kumar AU - Dalwadi, Udit AU - Yip, Calvin K. AU - Burke, John E. AU - García, K. Christopher AU - Grishin, Nick V. AU - Adams, Paul D. AU - Read, Randy J. AU - Baker, David A. TI - Accurate prediction of protein structures and interactions using a three-track neural network JO - Science VL - 373 IS - 6557 SP - 871 EP - 876 PY - 2021 DA - 2021/07/15 DO - 10.1126/science.abj8754 UR - https://doi.org/10.1126/science.abj8754 ER -
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