Literature DB >> 33411019

Probabilistic divergence of a template-based modelling methodology from the ideal protocol.

Ashish Runthala1.   

Abstract

Protein structural information is essential for the detailed mapping of a functional protein network. For a higher modelling accuracy and quicker implementation, template-based algorithms have been extensively deployed and redefined. The methods only assess the predicted structure against its native state/template and do not estimate the accuracy for each modelling step. A divergence measure is therefore postulated to estimate the modelling accuracy against its theoretical optimal benchmark. By freezing the domain boundaries, the divergence measures are predicted for the most crucial steps of a modelling algorithm. To precisely refine the score using weighting constants, big data analysis could further be deployed.

Keywords:  Accuracy; FM; Model; Modelling; TBM

Year:  2021        PMID: 33411019     DOI: 10.1007/s00894-020-04640-w

Source DB:  PubMed          Journal:  J Mol Model        ISSN: 0948-5023            Impact factor:   1.810


  52 in total

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Journal:  Biologicals       Date:  2018-10-13       Impact factor: 1.856

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Journal:  Comput Biol Chem       Date:  2019-05-16       Impact factor: 2.877

3.  Evaluation of specificity determinants in Mycobacterium tuberculosis σ/anti-σ factor interactions.

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Journal:  Biochem Biophys Res Commun       Date:  2019-11-08       Impact factor: 3.575

4.  Flexibility and structure of flanking DNA impact transcription factor affinity for its core motif.

Authors:  Venkata Rajesh Yella; Devesh Bhimsaria; Debostuti Ghoshdastidar; José A Rodríguez-Martínez; Aseem Z Ansari; Manju Bansal
Journal:  Nucleic Acids Res       Date:  2018-12-14       Impact factor: 16.971

5.  In silico structural homology modeling of nif A protein of rhizobial strains in selective legume plants.

Authors:  Sadam D V Satyanarayana; M S R Krishna; Pindi Pavan Kumar; Sirisha Jeereddy
Journal:  J Genet Eng Biotechnol       Date:  2018-07-07

6.  Decoding the vital segments in human ATP-dependent RNA helicase.

Authors:  Vandana Kamjula; Ananya Kanneganti; Rohan Metla; Kusuma Nidamanuri; Sudarshan Idupulapati; Ashish Runthala
Journal:  Bioinformation       Date:  2020-02-29

7.  Specific panallergen peptide of Sorghum Polcalcin showing IgE response identified based on in silico and in vivo peptide mapping.

Authors:  Chandra Sekhar Bokka; Ganesh Kumar Veeramachaneni; V B S C Thunuguntla; Naresh Kumar Manda; Jayakumar Singh Bondili
Journal:  Biosci Rep       Date:  2019-11-29       Impact factor: 3.840

8.  On the relevance of sophisticated structural annotations for disulfide connectivity pattern prediction.

Authors:  Julien Becker; Francis Maes; Louis Wehenkel
Journal:  PLoS One       Date:  2013-02-15       Impact factor: 3.240

9.  Ginsentides: Cysteine and Glycine-rich Peptides from the Ginseng Family with Unusual Disulfide Connectivity.

Authors:  James P Tam; Giang K T Nguyen; Shining Loo; Shujing Wang; Daiwen Yang; Antony Kam
Journal:  Sci Rep       Date:  2018-11-01       Impact factor: 4.379

10.  High precision protein functional site detection using 3D convolutional neural networks.

Authors:  Wen Torng; Russ B Altman
Journal:  Bioinformatics       Date:  2019-05-01       Impact factor: 6.937

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  1 in total

1.  Computationally Decoding NudF Residues To Enhance the Yield of the DXP Pathway.

Authors:  Devi Prasanna; Ashish Runthala
Journal:  ACS Omega       Date:  2022-05-27
  1 in total

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