Design and Implementation of an Accessible and Open-Sourced In Silico Drug Screening Activity for Cancer Drug Discovery
Audrey G. Fikes,
Melissa C. Srougi
Abstract:The application of chemistry concepts in biological settings plays an important role in the interdisciplinary field of drug discovery and development. This is true for molecular docking, where an understanding of intermolecular forces and noncovalent interactions is useful for rational drug design and development.Here we report the design and use of a molecular docking activity for cancer drug discovery for users that requires minimal coding knowledge. Although used in a drug discovery context, this activity c… Show more
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