Comparison of different quantum mechanical/molecular mechanics boundary treatments in the reaction of the hepatitis C virus NS3 protease with the NS5A/5B substrate

A Rodriguez, C Oliva, M Gonzalez, MW Van der Kamp, AJ Mulholland

Research output: Contribution to journalArticle (Academic Journal)peer-review

28 Citations (Scopus)
Translated title of the contributionComparison of different quantum mechanical/molecular mechanics boundary treatments in the reaction of the hepatitis C virus NS3 protease with the NS5A/5B substrate
Original languageEnglish
Pages (from-to)12909 - 12915
Number of pages7
JournalJournal of Physical Chemistry B
Volume111 (44)
DOIs
Publication statusPublished - Aug 2007

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