ArticlePeerJ2015
DrugOn: a fully integrated pharmacophore modeling and structure optimization toolkit.
Article in PeerJ, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
14 citing papers in PubMed.
- Multiple sclerosis and computational biology (Review).Biomedical reports · 2022Review
- Biochemical and in silico identification of the active site and the catalytic mechanism of the circadian deadenylase HESPERIN.FEBS open bio · 2022Article
- Epitranscriptomics of cardiovascular diseases (Review).International journal of molecular medicine · 2022Review
- Introduction to the BioChemical Library (BCL): An Application-Based Open-Source Toolkit for Integrated Cheminformatics and Machine Learning in Computer-Aided Drug Discovery.Frontiers in pharmacology · 2022Article
- Haematological malignancies implications during the times of the COVID-19 pandemic.Oncology letters · 2021Review
- Artificial Intelligence and the Future of Diagnostic and Therapeutic Radiopharmaceutical Development:: In Silico Smart Molecular Design.PET clinics · 2021Review
- Protein electrostatics: From computational and structural analysis to discovery of functional fingerprints and biotechnological design.Computational and structural biotechnology journal · 2020Review
- Pharmacophore-Based Virtual Screening Toward the Discovery of Novel Anti-echinococcal Compounds.Frontiers in cellular and infection microbiology · 2020Article
- Microbiome Hijacking Towards an Integrative Pest Management Pipeline.Advances in experimental medicine and biology · 2020Review
- Drugena: A Fully Automated Immunoinformatics Platform for the Design of Antibody-Drug Conjugates Against Neurodegenerative Diseases.Advances in experimental medicine and biology · 2020Article
- BCL::MolAlign: Three-Dimensional Small Molecule Alignment for Pharmacophore Mapping.Journal of chemical information and modeling · 2019Article
- Introducing Thetis: a comprehensive suite for event detection in molecular dynamics.Journal of molecular biochemistry · 2018Article
- Article
- An analysis of phosphorylation sites in protein kinases fromBioinformation · 2016Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
During the past few years, pharmacophore modeling has become one of the key components in computer-aided drug design and in modern drug discovery. DrugOn is a fully interactive pipeline designed to exploit the advantages of modern programming and overcome the command line barrier with two friendly environments for the user (either novice or experienced in the field of Computer Aided Drug Design) to perform pharmacophore modeling through an efficient combination of the PharmACOphore, Gromacs, Ligbuilder and PDB2PQR suites. Our platform features a novel workflow that guides the user through each logical step of the iterative 3D structural optimization setup and drug design process. For the pharmacophore modeling we are focusing on either the characteristics of the receptor or the full molecular system, including a set of selected ligands. DrugOn can be freely downloaded from our dedicated server system at www.bioacademy.gr/bioinformatics/drugon/.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.