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Deep learning applied to SA prediction Hai'e Gong Mar 22 nd , 2016

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Page 1: Deep learning applied to SA prediction Hai'e Gong Mar 22ndcasp/temp/20160322.pdf · MAT LAB toolbox, implemented by ... (CASP 11, 2014, ... Secondary structure, however, is a coarse-grained

Deep learning applied to SA prediction

Hai'e GongMar 22nd, 2016

Page 2: Deep learning applied to SA prediction Hai'e Gong Mar 22ndcasp/temp/20160322.pdf · MAT LAB toolbox, implemented by ... (CASP 11, 2014, ... Secondary structure, however, is a coarse-grained

● Improving prediction of secondary structure, local backbone angles, and solvent accessible surface area of proteins by iterative deep learning

● Rhys Heffernan, Kuldip Paliwal, James Lyons, Abdollah Dehzangi, Alok Sharma, Jihua Wang, Abdul Sattar, Yuedong Yang, Yaoqi Zhou

● Scientific Reports

Page 3: Deep learning applied to SA prediction Hai'e Gong Mar 22ndcasp/temp/20160322.pdf · MAT LAB toolbox, implemented by ... (CASP 11, 2014, ... Secondary structure, however, is a coarse-grained

Abstract

Page 4: Deep learning applied to SA prediction Hai'e Gong Mar 22ndcasp/temp/20160322.pdf · MAT LAB toolbox, implemented by ... (CASP 11, 2014, ... Secondary structure, however, is a coarse-grained

Protein structure prediction

Page 5: Deep learning applied to SA prediction Hai'e Gong Mar 22ndcasp/temp/20160322.pdf · MAT LAB toolbox, implemented by ... (CASP 11, 2014, ... Secondary structure, however, is a coarse-grained

Secondary structure

Page 6: Deep learning applied to SA prediction Hai'e Gong Mar 22ndcasp/temp/20160322.pdf · MAT LAB toolbox, implemented by ... (CASP 11, 2014, ... Secondary structure, however, is a coarse-grained

Angles

Page 7: Deep learning applied to SA prediction Hai'e Gong Mar 22ndcasp/temp/20160322.pdf · MAT LAB toolbox, implemented by ... (CASP 11, 2014, ... Secondary structure, however, is a coarse-grained

ASA

Page 8: Deep learning applied to SA prediction Hai'e Gong Mar 22ndcasp/temp/20160322.pdf · MAT LAB toolbox, implemented by ... (CASP 11, 2014, ... Secondary structure, however, is a coarse-grained

The contribution of iteration

Page 9: Deep learning applied to SA prediction Hai'e Gong Mar 22ndcasp/temp/20160322.pdf · MAT LAB toolbox, implemented by ... (CASP 11, 2014, ... Secondary structure, however, is a coarse-grained

Related work

Page 10: Deep learning applied to SA prediction Hai'e Gong Mar 22ndcasp/temp/20160322.pdf · MAT LAB toolbox, implemented by ... (CASP 11, 2014, ... Secondary structure, however, is a coarse-grained

This method: SPIDER2

Page 11: Deep learning applied to SA prediction Hai'e Gong Mar 22ndcasp/temp/20160322.pdf · MAT LAB toolbox, implemented by ... (CASP 11, 2014, ... Secondary structure, however, is a coarse-grained

Datasets

Page 12: Deep learning applied to SA prediction Hai'e Gong Mar 22ndcasp/temp/20160322.pdf · MAT LAB toolbox, implemented by ... (CASP 11, 2014, ... Secondary structure, however, is a coarse-grained

Model

Page 13: Deep learning applied to SA prediction Hai'e Gong Mar 22ndcasp/temp/20160322.pdf · MAT LAB toolbox, implemented by ... (CASP 11, 2014, ... Secondary structure, however, is a coarse-grained

Architechture

Page 14: Deep learning applied to SA prediction Hai'e Gong Mar 22ndcasp/temp/20160322.pdf · MAT LAB toolbox, implemented by ... (CASP 11, 2014, ... Secondary structure, however, is a coarse-grained

Iterative algorithm

Page 15: Deep learning applied to SA prediction Hai'e Gong Mar 22ndcasp/temp/20160322.pdf · MAT LAB toolbox, implemented by ... (CASP 11, 2014, ... Secondary structure, however, is a coarse-grained

Iteration performace

Page 16: Deep learning applied to SA prediction Hai'e Gong Mar 22ndcasp/temp/20160322.pdf · MAT LAB toolbox, implemented by ... (CASP 11, 2014, ... Secondary structure, however, is a coarse-grained

Iteration performace on SS

Page 17: Deep learning applied to SA prediction Hai'e Gong Mar 22ndcasp/temp/20160322.pdf · MAT LAB toolbox, implemented by ... (CASP 11, 2014, ... Secondary structure, however, is a coarse-grained

Iteration performace on prediction accuracy of angles

Page 18: Deep learning applied to SA prediction Hai'e Gong Mar 22ndcasp/temp/20160322.pdf · MAT LAB toolbox, implemented by ... (CASP 11, 2014, ... Secondary structure, however, is a coarse-grained

RMSD of constructed structures by angles

Page 19: Deep learning applied to SA prediction Hai'e Gong Mar 22ndcasp/temp/20160322.pdf · MAT LAB toolbox, implemented by ... (CASP 11, 2014, ... Secondary structure, however, is a coarse-grained

Comparision with other tools

Page 20: Deep learning applied to SA prediction Hai'e Gong Mar 22ndcasp/temp/20160322.pdf · MAT LAB toolbox, implemented by ... (CASP 11, 2014, ... Secondary structure, however, is a coarse-grained

Q3 and its misclassifications

Page 21: Deep learning applied to SA prediction Hai'e Gong Mar 22ndcasp/temp/20160322.pdf · MAT LAB toolbox, implemented by ... (CASP 11, 2014, ... Secondary structure, however, is a coarse-grained

Comparision with models in CASP 11

Page 22: Deep learning applied to SA prediction Hai'e Gong Mar 22ndcasp/temp/20160322.pdf · MAT LAB toolbox, implemented by ... (CASP 11, 2014, ... Secondary structure, however, is a coarse-grained

Contructed structures by angles

Page 23: Deep learning applied to SA prediction Hai'e Gong Mar 22ndcasp/temp/20160322.pdf · MAT LAB toolbox, implemented by ... (CASP 11, 2014, ... Secondary structure, however, is a coarse-grained

The contribution of other structural info except for predicted SS

Page 24: Deep learning applied to SA prediction Hai'e Gong Mar 22ndcasp/temp/20160322.pdf · MAT LAB toolbox, implemented by ... (CASP 11, 2014, ... Secondary structure, however, is a coarse-grained

Applications of the prediction results

Page 25: Deep learning applied to SA prediction Hai'e Gong Mar 22ndcasp/temp/20160322.pdf · MAT LAB toolbox, implemented by ... (CASP 11, 2014, ... Secondary structure, however, is a coarse-grained

Summary

● Use angles as features when predicting strutural information.

● Apply architecture of iterative algorithms to our work.

● Use bigger dataset.● Broaden the window size around the target

residue.