Collect. Czech. Chem. Commun.
2011, 76, 457-479
https://doi.org/10.1135/cccc2011035
Published online 2011-04-20 08:33:27
On the reliability of the corrected semiempirical quantum chemical method (PM6-DH2) for assigning the protonation states in HIV-1 protease/inhibitor complexes
Adam Pecina, Ondřej Přenosil, Jindřich Fanfrlík, Jan Řezáč, Jaroslav Granatier, Pavel Hobza* and Martin Lepšík*
Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, v.v.i., and Center for Biomolecules and Complex Molecular Systems, 166 10 Prague 6, Czech Republic
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