LS-align: an atom-level, flexible ligand structural alignment algorithm for high-throughput virtual screening-Reference-Cited by-同舟云学术

LS-align: an atom-level, flexible ligand structural alignment algorithm for high-throughput virtual screening

Published:2018-02-15 Issue:13 Volume:34 Page:2209-2218
ISSN:1367-4803
Container-title:Bioinformatics
language:en
Short-container-title:

Author:

Hu Jun¹²,Liu Zi¹,Yu Dong-Jun¹,Zhang Yang²

Affiliation:

1. School of Computer Science and Engineering, Nanjing University of Science and Technology, Nanjing, China

2. Department of Computational Medicine and Bioinformatics, University of Michigan, Ann Arbor, USA

Funder

National Natural Science Foundation of China

Fundamental Research Funds for the Central Universities

China Scholarship Council

National Institute of General Medical Sciences

National Science Foundation

Publisher

Oxford University Press (OUP)

Subject

Computational Mathematics,Computational Theory and Mathematics,Computer Science Applications,Molecular Biology,Biochemistry,Statistics and Probability

Link

http://academic.oup.com/bioinformatics/article-pdf/34/13/2209/25098155/bty081.pdf

Reference24 articles.

1. FieldScreen: virtual screening using molecular fields. Application to the DUD data set;Cheeseright;J. Chem. Inf. Model,2008

2. Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches;Eckert;Drug Discov. Today,2007

3. Computational protein-ligand docking and virtual drug screening with the AutoDock suite;Forli;Nat. Protoc,2016

4. A fast method of molecular shape comparison: a simple application of a Gaussian description of molecular shape;Grant;J. Comput. Chem,1996

Cited by 65 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. The changing scenario of drug discovery using AI to deep learning: Recent advancement, success stories, collaborations, and challenges;Molecular Therapy - Nucleic Acids;2024-09

2. PheSA: An Open-Source Tool for Pharmacophore-Enhanced Shape Alignment;Journal of Chemical Information and Modeling;2024-08-02

3. Comparative in silico analysis of CNS-active molecules targeting the blood–brain barrier choline transporter for Alzheimer’s disease therapy;In Silico Pharmacology;2024-07-31

4. Fully Flexible Molecular Alignment Enables Accurate Ligand Structure Modeling;Journal of Chemical Information and Modeling;2024-07-29

5. FerroLigandDB: A Ferroptosis Ligand Database of Structure–Activity Relations;Journal of Chemical Information and Modeling;2024-06-17