Literature DB >> 27995514

The need for scientific software engineering in the pharmaceutical industry.

Brock Luty1, Peter W Rose2.   

Abstract

Scientific software engineering is a distinct discipline from both computational chemistry project support and research informatics. A scientific software engineer not only has a deep understanding of the science of drug discovery but also the desire, skills and time to apply good software engineering practices. A good team of scientific software engineers can create a software foundation that is maintainable, validated and robust. If done correctly, this foundation enable the organization to investigate new and novel computational ideas with a very high level of efficiency.

Keywords:  Research software engineer; Scientific software engineer

Mesh:

Year:  2016        PMID: 27995514     DOI: 10.1007/s10822-016-9997-x

Source DB:  PubMed          Journal:  J Comput Aided Mol Des        ISSN: 0920-654X            Impact factor:   3.686


  1 in total

1.  Deciphering common failures in molecular docking of ligand-protein complexes.

Authors:  G M Verkhivker; D Bouzida; D K Gehlhaar; P A Rejto; S Arthurs; A B Colson; S T Freer; V Larson; B A Luty; T Marrone; P W Rose
Journal:  J Comput Aided Mol Des       Date:  2000-11       Impact factor: 3.686

  1 in total
  2 in total

1.  Contemporary Computational Applications and Tools in Drug Discovery.

Authors:  Philip B Cox; Rishi Gupta
Journal:  ACS Med Chem Lett       Date:  2022-06-01       Impact factor: 4.632

Review 2.  Early Career Perspectives from Large Pharma, Software, and Start-up Companies.

Authors:  Fiorella Ruggiu; Caitlin Bannan; Andrea Bootsma
Journal:  J Chem Inf Model       Date:  2022-05-19       Impact factor: 6.162

  2 in total

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