Search results
- 1.0435219 - ÚOCHB 2015 RIV DE eng J - Journal Article
Přenosil, Ondřej - Pitoňák, Michal - Sedlák, Robert - Kabeláč, Martin - Hobza, Pavel
H-Bonding Cooperativity Effects in Amyloids: Quantum Mechanical and Molecular Mechanics Study.
Zeitschrift für Physikalische Chemie : International Journal of Research in Physical Chemistry & Chemical Physics. Roč. 225, č. 5 (2011), s. 553-574. ISSN 0942-9352
R&D Projects: GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : non-covalent interaction * hydrogen bond * amyloids * DFT
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.568, year: 2011
Permanent Link: http://hdl.handle.net/11104/0239127 - 2.0368013 - ÚOCHB 2012 RIV CZ eng J - Journal Article
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. Roč. 76, č. 5 (2011), s. 457-479. ISSN 0010-0765
R&D Projects: GA MŠMT LC512; GA MŠMT 1M0508; GA ČR GAP208/11/0295
Institutional research plan: CEZ:AV0Z40550506
Keywords : HIV-1 protease inhibition * protonation * QM/MM calculations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.283, year: 2011
Permanent Link: http://hdl.handle.net/11104/0202490 - 3.0351836 - 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 - 4.0351497 - ÚOCHB 2011 RIV CZ eng J - Journal Article
Votruba, Ivan - Trýznová, Jana - Břehová, Petra - Tloušťová, Eva - Horská, Květoslava - Fanfrlík, Jindřich - Přenosil, Ondřej - Holý, Antonín
Inhibition of human purine nucleoside phosphorylase by tenofovir phosphate congeners.
Collection of Czechoslovak Chemical Communications. Roč. 75, č. 12 (2010), s. 1249-1257. ISSN 0010-0765
R&D Projects: GA MŠMT 1M0508
Institutional research plan: CEZ:AV0Z40550506
Keywords : purine nucleoside phosphorylase * phosphates of acyclic nucleoside * phosphonates * tenofovir phosphate congeners
Subject RIV: CC - Organic Chemistry
Impact factor: 0.853, year: 2010
Permanent Link: http://hdl.handle.net/11104/0191236