Literature DB >> 21405545

Discrete nonlinear Schrödinger equation and polygonal solitons with applications to collapsed proteins.

Nora Molkenthin1, Shuangwei Hu, Antti J Niemi.   

Abstract

We introduce a novel generalization of the discrete nonlinear Schrödinger equation. It supports solitons that we utilize to model chiral polymers in the collapsed phase and, in particular, proteins in their native state. As an example we consider the villin headpiece HP35, an archetypal protein for testing both experimental and theoretical approaches to protein folding. We use its backbone as a template to explicitly construct a two-soliton configuration. Each of the two solitons describe well over 7.000 supersecondary structures of folded proteins in the Protein Data Bank with sub-angstrom accuracy suggesting that these solitons are common in nature.

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Year:  2011        PMID: 21405545     DOI: 10.1103/PhysRevLett.106.078102

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  11 in total

1.  New Insights into Folding, Misfolding, and Nonfolding Dynamics of a WW Domain.

Authors:  Khatuna Kachlishvili; Anatolii Korneev; Luka Maisuradze; Jiaojiao Liu; Harold A Scheraga; Alexander Molochkov; Patrick Senet; Antti J Niemi; Gia G Maisuradze
Journal:  J Phys Chem B       Date:  2020-05-01       Impact factor: 2.991

2.  Optimizing Epitope Conformational Ensembles Using α-Synuclein Cyclic Peptide "Glycindel" Scaffolds: A Customized Immunogen Method for Generating Oligomer-Selective Antibodies for Parkinson's Disease.

Authors:  Shawn C C Hsueh; Adekunle Aina; Andrei Yu Roman; Neil R Cashman; Xubiao Peng; Steven S Plotkin
Journal:  ACS Chem Neurosci       Date:  2022-07-15       Impact factor: 5.780

3.  Exploring Structural Flexibility and Stability of α-Synuclein by the Landau-Ginzburg-Wilson Approach.

Authors:  Anatolii Korneev; Alexander Begun; Sergei Liubimov; Khatuna Kachlishvili; Alexander Molochkov; Antti J Niemi; Gia G Maisuradze
Journal:  J Phys Chem B       Date:  2022-09-02       Impact factor: 3.466

4.  Kinks, loops, and protein folding, with protein A as an example.

Authors:  Andrey Krokhotin; Adam Liwo; Gia G Maisuradze; Antti J Niemi; Harold A Scheraga
Journal:  J Chem Phys       Date:  2014-01-14       Impact factor: 3.488

5.  Coexistence of phases in a protein heterodimer.

Authors:  Andrey Krokhotin; Adam Liwo; Antti J Niemi; Harold A Scheraga
Journal:  J Chem Phys       Date:  2012-07-21       Impact factor: 3.488

6.  Investigation of Phosphorylation-Induced Folding of an Intrinsically Disordered Protein by Coarse-Grained Molecular Dynamics.

Authors:  Adam K Sieradzan; Anatolii Korneev; Alexander Begun; Khatuna Kachlishvili; Harold A Scheraga; Alexander Molochkov; Patrick Senet; Antti J Niemi; Gia G Maisuradze
Journal:  J Chem Theory Comput       Date:  2021-04-28       Impact factor: 6.006

7.  Clustering and percolation in protein loop structures.

Authors:  Xubiao Peng; Jianfeng He; Antti J Niemi
Journal:  BMC Struct Biol       Date:  2015-10-29

8.  Study of correlations between protein peptide plane dynamics and side chain dynamics.

Authors:  Yanzhen Hou; Jiaojiao Liu; Jianfeng He; Xubiao Peng; Antti J Niemi
Journal:  PLoS One       Date:  2019-04-12       Impact factor: 3.240

9.  Protein tertiary structure and the myoglobin phase diagram.

Authors:  Alexander Begun; Alexander Molochkov; Antti J Niemi
Journal:  Sci Rep       Date:  2019-07-25       Impact factor: 4.379

10.  Topological Indices of Proteins.

Authors:  Dmitry Melnikov; Antti J Niemi; Ara Sedrakyan
Journal:  Sci Rep       Date:  2019-10-10       Impact factor: 4.379

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