Journal Article 5 natural bond orbital Research Support, U.S. Gov't, Non-P.H.S. 2 natural resonance theory 2 wavefunction analysis 2 Atoms in Molecules AIM 1 AutoDock Vina 1 mehr ... Carbonic Anhydrase II 1 Carbonic Anhydrase Inhibitors 1 EC 4.2.1.- 1 Ligands 1 ONIOM 1 PyMOL 1 Research Support, Non-U.S. Gov't 1 Sulfonamides 1 bond order 1 chemical bonding 1 chemical bonding theory 1 convex optimization 1 cooperativity 1 free radicals 1 inhibition constant 1 inhibitor 1 isomerisation 1 long bonding 1 molecular docking 1 molecular electrostatic potential 1 polyelectron population; density matrix 1 quantum mechanical/molecular mechanical 1 reaction pathways 1 weniger ...