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