Clent, BA;
Wang, Y;
Britton, HC;
Otto, F;
Swain, CJ;
Todd, MH;
Wilden, JD;
(2021)
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.
Journal of Chemical Education
, 98
(9)
pp. 2899-2905.
10.1021/acs.jchemed.1c00289.
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Abstract
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.
| Type: | Article |
|---|---|
| Title: | 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 |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1021/acs.jchemed.1c00289 |
| Publisher version: | https://doi.org/10.1021/acs.jchemed.1c00289 |
| Language: | English |
| Additional information: | © 2021 The Authors. Published by American Chemical Society and Division of Chemical Education, Inc. This is an Open Access article published under the terms of the Creative Commons licence (https://creativecommons.org/licenses/by-nc-nd/4.0/). |
| Keywords: | Graduate Education, Research Chemoinformatics, Interdisciplinary, Multidisciplinary Textbooks, Reference Books Distance Learning, Self Instruction Inquiry-Based, Discovery Learning, Medicinal Chemistry, Molecular Modeling |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences > UCL School of Pharmacy UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences > UCL School of Pharmacy > Pharma and Bio Chemistry UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
| URI: | https://discovery-pp.ucl.ac.uk/id/eprint/10133378 |
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