TY  - JOUR
SP  - 1141
SN  - 1097-0134
AV  - public
JF  - Proteins
IS  - 12
KW  - CASP
KW  -  Protein structure prediction
KW  -  deep learning
KW  -  machine learning
N1  - Copyright © 2019 The Authors. Proteins: Structure, Function, and Bioinformatics published by Wiley Periodicals, Inc. This is an open access article under the terms of the Creative Commons Attribution?NonCommercial?NoDerivs License (http://creativecommons.org/licenses/by-nc-nd/4.0/), which permits use and distribution in any medium, provided the original work is properly cited, the use is non?commercial and no modifications or adaptations are made.
Y1  - 2019/12//
TI  - Protein structure prediction using multiple deep neural networks in the 13th Critical Assessment of Protein Structure Prediction (CASP13)
N2  - We describe AlphaFold, the protein structure prediction system that was entered by the group A7D in CASP13 Submissions were made by three free-modelling methods which combine the predictions of three neural networks. All three systems were guided by predictions of distances between pairs of residues produced by a neural network. Two systems assembled fragments produced by a generative neural network, one using scores from a network trained to regress GDT_TS. The third system shows that simple gradient descent on a properly constructed potential is able to perform on-par with more expensive traditional search techniques and without requiring domain segmentation. In the CASP13 free-modelling assessors' ranking by summed z-scores, this system scored highest with 68.3 vs 48.2 for the next closest group. (An average GDT_TS of 61.4.) The system produced high-accuracy structures (with GDT_TS scores of 70 or higher) for 11 out of 43 free-modelling domains. Despite not explicitly using template information, the results in the template category were comparable to the best performing template-based methods.
EP  - 1148
A1  - Senior, AW
A1  - Evans, R
A1  - Jumper, J
A1  - Kirkpatrick, J
A1  - Sifre, L
A1  - Green, T
A1  - Qin, C
A1  - ?ídek, A
A1  - Nelson, AWR
A1  - Bridgland, A
A1  - Penedones, H
A1  - Petersen, S
A1  - Simonyan, K
A1  - Crossan, S
A1  - Kohli, P
A1  - Jones, DT
A1  - Silver, D
A1  - Kavukcuoglu, K
A1  - Hassabis, D
UR  - https://doi.org/10.1002/prot.25834
VL  - 87
ID  - discovery10083488
ER  -