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Computational Chemistry on a Budget – Supporting Drug Discovery with Limited Resources

Willems, H; De Cesco, S; Svensson, F; (2020) Computational Chemistry on a Budget – Supporting Drug Discovery with Limited Resources. Journal of Medicinal Chemistry , 63 (18) pp. 10158-10169. 10.1021/acs.jmedchem.9b02126. Green open access

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Abstract

An increasing number of new drugs have their origin in small biotech or academia. In contrast to big pharma, these environments are often more limited in terms of resources, and this necessitates different approaches to the drug discovery process. In this review, we outline how computational methods can help advance drug discovery in a setting with more limited resources and we share what, based on our experience, are the best practices for these methods.

Type: Article
Title: Computational Chemistry on a Budget – Supporting Drug Discovery with Limited Resources
Open access status: An open access version is available from UCL Discovery
DOI: 10.1021/acs.jmedchem.9b02126
Publisher version: https://doi.org/10.1021/acs.jmedchem.9b02126
Language: English
Additional information: This version is the author accepted manuscript. For information on re-use, please refer to the publisher's terms and conditions.
UCL classification: UCL
UCL > Provost and Vice Provost Offices > School of Education
UCL > Provost and Vice Provost Offices > School of Education > UCL Institute of Education
UCL > Provost and Vice Provost Offices > School of Education > UCL Institute of Education > IOE - Curriculum, Pedagogy and Assessment
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 Brain Sciences
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Brain Sciences > UCL Queen Square Institute of Neurology
UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Brain Sciences > UCL Queen Square Institute of Neurology > Department of Neuromuscular Diseases
URI: https://discovery.ucl.ac.uk/id/eprint/10096419
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