High-throughput virtual screening and microsecond MD simulations to identify potential sugar mimic of the solute-binding protein BlAXBP of the ABC transporter from Bifidobacterium animalis subsp. Lactis-Reference-Cited by-同舟云学术

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High-throughput virtual screening and microsecond MD simulations to identify potential sugar mimic of the solute-binding protein BlAXBP of the ABC transporter from Bifidobacterium animalis subsp. Lactis

Published:2021-08 Issue: Volume:93 Page:107541
ISSN:1476-9271
Container-title:Computational Biology and Chemistry
language:en
Short-container-title:Computational Biology and Chemistry

Author:

Zhang Yubo^ORCID,Li Anqi

Publisher

Elsevier BV

Subject

Computational Mathematics,Organic Chemistry,Biochemistry,Structural Biology

Reference61 articles.

1. Enterotypes of the human gut microbiome;Arumugam;Nature,2011

2. Scaffold hopping using clique detection applied to reduced graphs;Barker;J. Chem. Inf. Model.,2006

3. Oligosaccharides: a boon from nature’s desk;Belorkar;AMB Express,2016

4. The protein data bank;Berman;Nucleic Acids Res.,2000

5. Interfering with the sugar code: design and synthesis of oligosaccharide mimics;Bernardi;Chem. A Eur. J.,2008

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1. Discovery of the new alpha-glucosidase inhibitor with therapeutic potential in type 2 diabetes mellitus by a novel high-throughput virtual screening and free energy evaluation;Journal of Molecular Graphics and Modelling;2023-06

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