Molecular Docking with Open Access Software: Development
of an Online Laboratory Handbook and Remote Workflow for Chemistry
and Pharmacy Master’s Students to Undertake Computer-Aided
Drug Design
posted on 2021-08-18, 17:39authored byBethanie
A. Clent, Yuhang Wang, Hugh C. Britton, Frank Otto, Christopher J. Swain, Matthew H. Todd, Jonathan D. Wilden, Alethea B. Tabor
In response to the closure of many
university laboratories due
to the Covid-19 pandemic in 2020, a handbook and remote webinar approach
designed to support students in the use of software tools for computer-aided
drug design has been developed. Specifically, the course has been
designed for chemistry and pharmacy students who have little or no
experience of computational techniques and can use open-source software
on their own machines. In this way a flexible and relevant course,
giving a rigorous academic experience, could be delivered even in
the most challenging of circumstances. We believe that this laboratory
protocol will help to “democratize” the scientific process
in this field.