FragExplorer: GRID-Based Fragment Growing and Replacement-Reference-Cited by-同舟云学术

FragExplorer: GRID-Based Fragment Growing and Replacement

Published:2022-02-04 Issue:5 Volume:62 Page:1224-1235
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Cross Simon¹^ORCID,Cruciani Gabriele²^ORCID

Affiliation:

1. Molecular Discovery, Kinetic Business Centre, Theobald Street, Elstree, Borehamwood, Hertfordshire WD6 4PJ, U.K.

2. Laboratory for Chemoinformatics and Molecular Modelling, Department of Chemistry, Biology and Biotechnology, University of Perugia, via Elce di Sotto 8, Perugia 06123, Italy

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.1c00821

Reference41 articles.

1. “Scaffold-Hopping” by Topological Pharmacophore Search: A Contribution to Virtual Screening

2. The computer program LUDI: A new method for the de novo design of enzyme inhibitors

3. Recore: A Fast and Versatile Method for Scaffold Hopping Based on Small Molecule Crystal Structure Conformations

4. SHOP: Scaffold HOPping by GRID-Based Similarity Searches

5. SHOP: A Method For Structure-Based Fragment and Scaffold Hopping

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