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Computer-Aided Drug Design

Guest Editor:
Abdulilah Ece: Biruni University, Turkey

Submission Status: Open   |   Submission Deadline: 31 October 2023

BMC Chemistry is calling for submissions for a Collection focused on computer-aided drug design (CADD). Despite many advances, traditional approaches to drug design often fails to keep pace with the emerging needs of patients and researchers. A growing suite of computational and theoretical approaches have the potential to supercharge the drug discovery process across academia and industry.

Meet the Guest Editors

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Abdulilah Ece: Biruni University, Türkiye

Dr. Ece is an Associate Professor of Chemistry at the Computer-Aided Drug Design Center, Biruni University. He received two successive awards from Trinity College Dublin in 2017 and 2018. Dr. Ece organizes symposiums and hands-on training courses on Computer-Aided Drug Design. His research group (Ece Research) is mainly focused on computer-aided drug design & discovery. In that aspect, he uses both quantum chemical and molecular mechanics calculations. Supported by the leading software companies in the field and in collaboration with national/international researchers, Ece Research uses effective and specialized computational tools to address a particular problem or to enlighten an experimental finding in medicinal, organic or pharmaceutical chemistry.
Abdulilah has been serving as associate editor of BMC Chemistry since 2019.

About the collection

BMC Chemistry is calling for submissions for a Collection focused on computer-aided drug design (CADD). 

Drug design is a multi-step, multidisciplinary process that traditionally requires huge amounts of time and money to complete. New approaches are needed to go beyond the limitations of these traditional methods and advance drug discovery and optimization.

One such approach is computer-aided drug design (CADD), which comprises a suite of computational and theoretical approaches to drug discovery that are being developed and implemented at increasing speed across academia and industry.

We invite researchers to submit research papers, commentaries and review articles reporting on the CADD applications in drug design & discovery studies. Drug-related wet-lab experiments that involve computations are also invited.
Topics of interested to the collection include but are not limited to:

    • Molecular docking
    • 2D and 3D-pharmacophore modelling
    • Virtual screening
    • Molecular dynamics simulations
    • Quantitative structure-activity relationship (QSAR)
    • High Throughput Screening
    • High-Performance Computing
    • Bioinformatics & Cheminformatics
    • Ligand-based Drug Design
    • Structure-based Drug Design
    • Artificial intelligence, machine learning, and data mining in drug discovery & design
    • Molecular mechanics and quantum mechanics calculations
    • Statistics used in CADD

  1. Computer-Aided Drug Design tools are now an indispensable part of drug discovery that have made key contributions to the development of drugs. In this editorial, I briefly provide an overview of CADD emphasizi...

    Authors: Abdulilah Ece
    Citation: BMC Chemistry 2023 17:26

Submission Guidelines

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This Collection welcomes submission of Research Articles. Before submitting your manuscript, please ensure you have read our submission guidelines. Articles for this Collection should be submitted via our submission system, Snapp. During the submission process you will be asked whether you are submitting to a Collection, please select "Computer Aided Drug Design" from the dropdown menu.

Articles will undergo the journal’s standard peer-review process and are subject to all of the journal’s standard policies. Articles will be added to the Collection as they are published.

The Guest Editors have no competing interests with the submissions which they handle through the peer review process. The peer review of any submissions for which the Guest Editors have competing interests is handled by another Editorial Board Member who has no competing interests.