Superior Performance of the SQM/COSMO Scoring Functions in Native Pose Recognition of Diverse Protein–Ligand Complexes in Cognate Docking

Por Ajani, Haresh, Pecina, Adam, Eyrilmez, Saltuk M., Fanfrlík, Jindřich, Haldar, Susanta, Řezáč, Jan, Hobza, Pavel, Lepšík, Martin
Publicado no ACS Omega (2017)

Carborane-Based Carbonic Anhydrase Inhibitors: Insight into CAII/CAIX Specificity from a High-Resolution Crystal Structure, Modeling, and Quantum Chemical Calculations

Por Mader, Pavel, Pecina, Adam, Cígler, Petr, Lepšík, Martin, Šícha, Václav, Hobza, Pavel, Grüner, Bohumír, Fanfrlík, Jindřich, Brynda, Jiří, Řezáčová, Pavlína
Publicado em 2014