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

J Med Chem. 2020 Sep 24;63(18):10158-10169. doi: 10.1021/acs.jmedchem.9b02126. Epub 2020 May 1.


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.

Publication types

  • Research Support, Non-U.S. Gov't
  • Review

MeSH terms

  • Computational Chemistry / methods*
  • Drug Discovery / economics*
  • Drug Discovery / methods*