view article
Figure 2
Computed electrostatic surfaces for 4-bromopyrazole, 4-iodopyrazole and related analogs. Partial table of derivatives tested for binding to RT–rilpivirine with density functional theory calculations of the electrostatic potential energy surface shown (a full list of derivatives can be found in the Supporting Information).

IUCrJ
Volume 3| Part 1| January 2016| Pages 51-60
ISSN: 2052-2525
doi:10.1107/S2052252515021259