Ligand-receptor interactions, contribution of the nitro group and MMPBSA energy for all compounds.
datasetposted on 2012-03-05, 00:54 authored by Cristian Obiol-Pardo, Gema Alcarraz-Vizán, Marta Cascante, Jaime Rubio-Martinez
HB denotes for hydrogen bond formation, VDW denotes for van der Waals interaction.1
: Extracted from the electrostatic term of the force field.2
: MMPBSA energy without computing the entropy contribution to binding.