Comprehensive characterization of oligosaccharide conformational ensembles with conformer classification by free-energy landscape via reproductive kernel Hilbert space-Reference-Cited by-同舟云学术

Comprehensive characterization of oligosaccharide conformational ensembles with conformer classification by free-energy landscape via reproductive kernel Hilbert space

Published:2021 Issue:16 Volume:23 Page:9753-9760
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Watanabe Tokio¹²³⁴^ORCID,Yagi Hirokazu¹²³⁴^ORCID,Yanaka Saeko¹²³⁴⁵^ORCID,Yamaguchi Takumi¹²³⁴⁶^ORCID,Kato Koichi¹²³⁴⁵^ORCID

Affiliation:

1. Faculty and Graduate School of Pharmaceutical Sciences

2. Nagoya City University

3. Nagoya

4. Japan

5. Exploratory Research Center on Life and Living Systems (ExCELLS) and Institute for Molecular Science (IMS)

6. School of Materials Science

Abstract

A kernel method enables the comprehensive characterization of conformational ensembles of oligosaccharides in association with the conformational free-energy landscape.

Funder

Japan Agency for Medical Research and Development

Japan Society for the Promotion of Science

Ministry of Education, Culture, Sports, Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D0CP06448C

Reference35 articles.

1. Heparan sulphate proteoglycans: the sweet side of development