Development of a novel representation of drug 3D structures and enhancement of the TSR-based method for probing drug and target interactions-Reference-Cited by-同舟云学术

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Development of a novel representation of drug 3D structures and enhancement of the TSR-based method for probing drug and target interactions

Published:2024-10 Issue: Volume:112 Page:108117
ISSN:1476-9271
Container-title:Computational Biology and Chemistry
language:en
Short-container-title:Computational Biology and Chemistry

Author:

Milon Tarikul I.,Wang Yuhong,Fontenot Ryan L.,Khajouie Poorya^ORCID,Villinger Francois,Raghavan Vijay^ORCID,Xu Wu^ORCID

Funder

National Institute of General Medical Sciences

Louisiana Board of Regents

University of Louisiana at Lafayette

Publisher

Elsevier BV

Reference80 articles.

1. A characterization of linkage-based hierarchical clustering;Ackerman;J. Mach. Learn. Res.,2016

2. Ligand Binding Affinities from MD Simulations;Åqvist;Acc. Chem. Res.,2002

3. State-of-the-art of artificial intelligence in medicinal chemistry;Bajorath;Future Sci. OA,2021

4. Ultrafast shape recognition: method and applications;Ballester;Future Med. Chem.,2011

5. Machine Learning for Molecular Modelling in Drug Design;Ballester;Biomolecules,2019

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