Pharmacophore Modeling of Targets Infested with Activity Cliffs <i>via</i> Molecular Dynamics Simulation Coupled with QSAR and Comparison with other Pharmacophore Generation Methods: KDR as Case Study-Reference-Cited by-同舟云学术

Pharmacophore Modeling of Targets Infested with Activity Cliffs via Molecular Dynamics Simulation Coupled with QSAR and Comparison with other Pharmacophore Generation Methods: KDR as Case Study

Published:2022-09 Issue:11 Volume:41 Page:2200049
ISSN:1868-1743
Container-title:Molecular Informatics
language:en
Short-container-title:Molecular Informatics

Author:

Abudayah Alaa¹,Daoud Safa²,Al‐Sha'er Mahmoud A.¹,Omar Taha Mutasem³^ORCID

Affiliation:

1. Faculty of Pharmacy Zarqa University Zarqa 13132 Jordan

2. Department of Pharmaceutical Chemistry and Pharmacognosy Faculty of Pharmacy Applied Sciences Private University 11931 Amman Jordan

3. Department of Pharmaceutical Sciences Faculty of Pharmacy University of Jordan 11942 Amman Jordan

Funder

Zarqa University

Publisher

Wiley

Subject

Organic Chemistry,Computer Science Applications,Drug Discovery,Molecular Medicine,Structural Biology

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/minf.202200049

Reference177 articles.

2. Exploring Activity Cliffs in Medicinal Chemistry

3. Composition and Topology of Activity Cliff Clusters Formed by Bioactive Compounds

5. Structure-Based Predictions of Activity Cliffs

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