Table_2.xls (5.5 kB)
Download fileLigand-receptor interactions, contribution of the nitro group and MMPBSA energy for all compounds.
dataset
posted on 2012-03-05, 00:54 authored by Cristian Obiol-Pardo, Gema Alcarraz-Vizán, Marta Cascante, Jaime Rubio-MartinezHB 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.
