PyPLIF HIPPOS: A Molecular Interaction Fingerprinting Tool for Docking Results of AutoDock Vina and PLANTS-Reference-Cited by-同舟云学术

PyPLIF HIPPOS: A Molecular Interaction Fingerprinting Tool for Docking Results of AutoDock Vina and PLANTS

Published:2020-07-20 Issue:8 Volume:60 Page:3697-3702
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Istyastono Enade P.¹²^ORCID,Radifar Muhammad²^ORCID,Yuniarti Nunung³,Prasasty Vivitri D.⁴,Mungkasi Sudi⁵

Affiliation:

1. Faculty of Pharmacy, Sanata Dharma University, Campus 3, Paingan, Maguwoharjo, Depok, Sleman, Yogyakarta 55282, Indonesia

2. Center for Molecular Modeling (molmod.org), Sinduadi, Mlati, Sleman, Yogyakarta 55284, Indonesia

3. Department of Pharmacology and Clinical Pharmacy, Faculty of Pharmacy, Universitas Gadjah Mada, Depok, Sleman, Yogyakarta 55281, Indonesia

4. Faculty of Biotechnology, Atma Jaya Catholic University of Indonesia, Jakarta 12930, Indonesia

5. Department of Mathematics, Faculty of Science and Technology, Sanata Dharma University, Paingan, Maguwoharjo, Depok, Sleman, Yogyakarta 55282, Indonesia

Funder

Indonesian National Research and Innovation Agency

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.0c00305

Reference35 articles.

1. Optimizing Fragment and Scaffold Docking by Use of Molecular Interaction Fingerprints

2. Structure-based virtual screening for fragment-like ligands of the G protein-coupled histamine H4 receptor

3. From Three-Dimensional GPCR Structure to Rational Ligand Discovery

4. Crystal Structure-Based Virtual Screening for Fragment-like Ligands of the Human Histamine H1 Receptor

5. Virtual Fragment Screening: Discovery of Histamine H3 Receptor Ligands Using Ligand-Based and Protein-Based Molecular Fingerprints

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