Docking and virtual screening
Bio-molecular Simulation School
Module I: Docking and virtual screening
Course offered on:
2 days: Friday 9 and Friday 16 Feb 2018 (9:00am - 5:00pm)
Dr. Ahmed Taha Ayoub
Dr. Ahmed graduated from the Faculty of Pharmacy at the German University in Cairo and pursued his PhD at the University of Alberta in the field of theoretical and computational chemistry and computer-aided drug design. With his 9 year experience in teaching and research related to computational chemistry, he is currently an assistant professor at the medicinal chemistry department at Heliopolis University.
Dr. Mohamed Alaraby Salem
Dr. Mohamed is a highest-honour graduate from the faculty of pharmacy and biotechnology, GUC. In 2016, he completed his PhD at the University of Alberta in the field of computational chemistry. Since then, he has been working as a lecturer of medicinal chemistry and drug design at the MSA University. He contributes to several workshops and events to teach the concepts of computer-aided drug design.
Docking is a computational chemistry tool used frequently to predict the binding mode of a small molecule within a binding site or to screen a virtual library against a certain target. In virtual screening, a library of small molecules is used to identify the structures that are most likely to bind to a drug target. In this module of the course we will touch-base on the theoretical basis of docking and virtual screening. We will cover their basic implementation in drug design by hands-on exercises. Important materials and software will be provided. By the end of the workshop, we expect the attendees to be able to start working on their own research in structure-based drug design.
- Lecture manuals and notes are provided.
- Each participant needs to bring his/her own laptop.
- The maximum number of attendees is 15.
Price: 600 L.E.