Multiscale Persistent Functions for Biomolecular Structure Characterization

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成果类型：

期刊论文

作者：

Xia, Kelin*;Li, Zhiming;Mu, Lin

通讯作者：

Xia, Kelin

作者机构：

[Xia, Kelin] Nanyang Technol Univ, Sch Phys & Math Sci, Div Math Sci, Singapore 637371, Singapore.

[Xia, Kelin] Nanyang Technol Univ, Sch Biol Sci, Singapore 637371, Singapore.

[Li, Zhiming] Cent China Normal Univ, Key Lab Quark & Lepton Phys MOE, Wuhan 430079, Hubei, Peoples R China.

[Li, Zhiming] Cent China Normal Univ, Inst Particle Phys, Wuhan 430079, Hubei, Peoples R China.

[Mu, Lin] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA.

通讯机构：

[Xia, Kelin] N

Nanyang Technol Univ, Sch Phys & Math Sci, Div Math Sci, Singapore 637371, Singapore.

Nanyang Technol Univ, Sch Biol Sci, Singapore 637371, Singapore.

语种：

英文

关键词：

Conformational entropy (CE);Persistent entropy;Multiscale rigidity function (MRF);Multiscale persistent function (MPF);Multiscale persistent entropy (MPE);Protein structure;Persistent homology

期刊：

Bulletin of Mathematical Biology

ISSN：

0092-8240

年：

2018

卷：

期：

页码：

1-31

DOI：

10.1007/s11538-017-0362-6

基金类别：

Nanyang Technological UniversityNanyang Technological University [M4081842.110]; Singapore Ministry of Education Academic Research fund Tier 1Ministry of Education, Singapore [M401110000]; Chinese Scholarship CouncilChina Scholarship Council [201506775038]; U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, Applied Mathematics programUnited States Department of Energy (DOE) [ERKJE45]; Laboratory Directed Research and Development program at the Oak Ridge National Laboratory; U.S. Department of EnergyUnited States Department of Energy (DOE) [DE-AC05-00OR22725]

机构署名：

本校为其他机构

院系归属：

物理科学与技术学院

摘要：

In this paper, we introduce multiscale persistent functions for biomolecular structure characterization. The essential idea is to combine our multiscale rigidity functions (MRFs) with persistent homology analysis, so as to construct a series of multiscale persistent functions, particularly multiscale persistent entropies, for structure characterization. To clarify the fundamental idea of our method, the multiscale persistent entropy (MPE) model is discussed in great detail. Mathematically, unlike the previous persistent entropy (Chintakunta et ...

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