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

被引：13

作者：

Clent, Bethanie A. ^{[1
]}

Wang, Yuhang ^{[2
]}

Britton, Hugh C. ^{[1
]}

Otto, Frank ^{[1
]}

Swain, Christopher J. ^{[3
]}

Todd, Matthew H. ^{[2
]}

Wilden, Jonathan D. ^{[1
]}

Tabor, Alethea B. ^{[1
]}

机构：

[1] UCL, Dept Chem, London WC1H 0AJ, England

[2] UCL, Sch Pharm, London WC1N 1AX, England

[3] Cambridge MedChem Consulting, Cambridge CB22 4RN, England

来源：

JOURNAL OF CHEMICAL EDUCATION | 2021年 / 98卷 / 09期

关键词：

Graduate Education/Research; Chemoinformatics; Interdisciplinary/Multidisciplinary; Textbooks/Reference Books; Distance Learning/Self Instruction; Inquiry-Based/Discovery Learning; Medicinal Chemistry; Molecular Modeling; MEDICINAL CHEMISTRY; DISCOVERY;

D O I：

10.1021/acs.jchemed.1c00289

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：2899 / 2905

页数：7

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