Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)

Yvonne Martin, Ruben Abagyan, Gyorgy Ferenczy, Val Gillet, Tudor Oprea, Johan Ulander, David Alan Winkler, Nicolai Zefirov

    Research output: Contribution to journalArticlepeer-review

    8 Citations (Scopus)

    Abstract

    Computational drug design is a rapidly changing field that plays an increasingly important role in medicinal chemistry. Since the publication of the first glossary in 1997, substantial changes have occurred in both medicinal chemistry and computational drug design. This has resulted in the use of many new terms and the consequent necessity to update the previous glossary. For this purpose a Working Party of eight experts was assembled. They produced explanatory definitions of more than 150 new and revised terms.

    Original languageEnglish
    Pages (from-to)239-264
    Number of pages26
    JournalPure and Applied Chemistry
    Volume88
    Issue number3
    DOIs
    Publication statusPublished - 2016

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