Literature DB >> 32804373

A Hybrid Levenberg-Marquardt Algorithm on a Recursive Neural Network for Scoring Protein Models.

Eshel Faraggi1,2, Robert L Jernigan3, Andrzej Kloczkowski4,5.   

Abstract

We have studied the ability of three types of neural networks to predict the closeness of a given protein model to the native structure associated with its sequence. We show that a partial combination of the Levenberg-Marquardt algorithm and the back-propagation algorithm produced the best results, giving the lowest error and largest Pearson correlation coefficient. We also find, as previous studies, that adding associative memory to a neural network improves its performance. Additionally, we find that the hybrid method we propose was the most robust in the sense that other configurations of it experienced less decline in comparison to the other methods. We find that the hybrid networks also undergo more fluctuations on the path to convergence. We propose that these fluctuations allow for better sampling. Overall we find it may be beneficial to treat different parts of a neural network with varied computational approaches during optimization.

Entities:  

Keywords:  Associative memory; Levenberg–Marquardt algorithm; Model quality assessment; Neural network; Protein structure

Year:  2021        PMID: 32804373      PMCID: PMC7666373          DOI: 10.1007/978-1-0716-0826-5_15

Source DB:  PubMed          Journal:  Methods Mol Biol        ISSN: 1064-3745


  20 in total

1.  The Protein Data Bank.

Authors:  H M Berman; J Westbrook; Z Feng; G Gilliland; T N Bhat; H Weissig; I N Shindyalov; P E Bourne
Journal:  Nucleic Acids Res       Date:  2000-01-01       Impact factor: 16.971

2.  Residue depth: a novel parameter for the analysis of protein structure and stability.

Authors:  S Chakravarty; R Varadarajan
Journal:  Structure       Date:  1999-07-15       Impact factor: 5.006

3.  Announcing the worldwide Protein Data Bank.

Authors:  Helen Berman; Kim Henrick; Haruki Nakamura
Journal:  Nat Struct Biol       Date:  2003-12

4.  How significant is a protein structure similarity with TM-score = 0.5?

Authors:  Jinrui Xu; Yang Zhang
Journal:  Bioinformatics       Date:  2010-02-17       Impact factor: 6.937

Review 5.  Use of machine learning approaches for novel drug discovery.

Authors:  Angélica Nakagawa Lima; Eric Allison Philot; Gustavo Henrique Goulart Trossini; Luis Paulo Barbour Scott; Vinícius Gonçalves Maltarollo; Kathia Maria Honorio
Journal:  Expert Opin Drug Discov       Date:  2016       Impact factor: 6.098

6.  Supervised machine learning algorithms for protein structure classification.

Authors:  Pooja Jain; Jonathan M Garibaldi; Jonathan D Hirst
Journal:  Comput Biol Chem       Date:  2009-05-03       Impact factor: 2.877

7.  A global machine learning based scoring function for protein structure prediction.

Authors:  Eshel Faraggi; Andrzej Kloczkowski
Journal:  Proteins       Date:  2013-11-22

8.  Accurate single-sequence prediction of solvent accessible surface area using local and global features.

Authors:  Eshel Faraggi; Yaoqi Zhou; Andrzej Kloczkowski
Journal:  Proteins       Date:  2014-09-25

9.  Predicting continuous local structure and the effect of its substitution for secondary structure in fragment-free protein structure prediction.

Authors:  Eshel Faraggi; Yuedong Yang; Shesheng Zhang; Yaoqi Zhou
Journal:  Structure       Date:  2009-11-11       Impact factor: 5.006

10.  TM-align: a protein structure alignment algorithm based on the TM-score.

Authors:  Yang Zhang; Jeffrey Skolnick
Journal:  Nucleic Acids Res       Date:  2005-04-22       Impact factor: 16.971

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