PoSSuM v.3: A Major Expansion of the PoSSuM Database for Finding Similar Binding Sites of Proteins-Reference-Cited by-同舟云学术

PoSSuM v.3: A Major Expansion of the PoSSuM Database for Finding Similar Binding Sites of Proteins

Published:2023-11-28 Issue:23 Volume:63 Page:7578-7587
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Tsuchiya Yuko¹^ORCID,Yonezawa Tomoki²,Yamamori Yu¹^ORCID,Inoura Hiroko¹^ORCID,Osawa Masanori²^ORCID,Ikeda Kazuyoshi²³^ORCID,Tomii Kentaro¹^ORCID

Affiliation:

1. Artificial Intelligence Research Center, National Institute of Advanced Industrial Science and Technology (AIST), 2-4-7 Aomi, Koto-ku, Tokyo 135-0064, Japan

2. Division of Physics for Life Functions, Keio University Faculty of Pharmacy, 1-5-30 Shibakoen, Minato-ku, Tokyo 105-8512, Japan

3. Medicinal Chemistry Applied AI Unit, HPC- and AI-driven Drug Development Platform Division, RIKEN Center for Computational Science, 1-7-22 Suehiro-cho, Tsurumi-ku, Yokohama, Kanagawa 230-0045, Japan

Funder

Japan Agency for Medical Research and Development

Public/Private R&D Investment Strategic Expansion PrograM

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c01405

Reference40 articles.

1. The Protein Data Bank Archive

2. PoSSuM v.2.0: data update and a new function for investigating ligand analogs and target proteins of small-molecule drugs

3. PoSSuM: a database of similar protein-ligand binding and putative pockets

4. Estrogen Receptor β Is a Novel Target in Acute Myeloid Leukemia

5. In silico identification and experimental validation of hits active against KPC-2 β-lactamase

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