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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
- 1.0351836 - ÚOCHB 2011 RIV US eng J - Journal Article
Fanfrlík, Jindřich - Bronowska, A. K. - Řezáč, Jan - Přenosil, Ondřej - Konvalinka, Jan - Hobza, Pavel
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. Roč. 114, č. 39 (2010), s. 12666-12678. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA MŠMT LC512; GA MŠMT 1M0508
Institutional research plan: CEZ:AV0Z40550506
Keywords : protein-ligand scoring * PM6-DH2 * HIV protease
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.603, year: 2010
Permanent Link: http://hdl.handle.net/11104/0006178
Number of the records: 1