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A Reliable Docking/Scoring Scheme Based on the Semiempirical Quantum Mechanical PM6-DH2 Method Accurately Covering Dispersion and H-Bonding: HIV-1 Protease with 22 Ligands
- 1.Fanfrlík, J., Bronowska, A. K., Řezáč, J., Přenosil, O., Konvalinka, J., Hobza, P. A Reliable Docking/Scoring Scheme Based on the Semiempirical Quantum Mechanical PM6-DH2 Method Accurately Covering Dispersion and H-Bonding: HIV-1 Protease with 22 Ligands. Journal of Physical Chemistry B. 2010, 114(39), 12666-12678. ISSN 1520-6106. E-ISSN 1520-5207. Available: doi: 10.1021/jp1032965
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