On the reliability of the corrected semiempirical quantum chemical method (PM6-DH2) for assigning the protonation states in HIV-1 protease/inhibitor complexes

PECINA, Adam, PŘENOSIL, Ondřej, FANFRLÍK, Jindřich, ŘEZÁČ, Jan, GRANATIER, Jaroslav, HOBZA, Pavel, LEPŠÍK, Martin. On the reliability of the corrected semiempirical quantum chemical method (PM6-DH2) for assigning the protonation states in HIV-1 protease/inhibitor complexes. Collection of Czechoslovak Chemical Communications. 2011, 76(5), 457-479. ISSN 0010-0765. Dostupné z: doi: 10.1135/cccc2011035