Performing Solvent Analysis on a Protein-Ligand Complex
This video shows how to use the Solvent Analysis tool, to predict the location and energetic favorability of water molecules in a protein-ligand complex.
[link]video.chemcomp[d]com/watch/CJfaKWsYWZmiHhUaJoe64T?second=29&autoplay=1[label]0:29 Initial preparation of a protein-ligand crystal structure for Solvent Analysis[link end]
[link]video.chemcomp[d]com/watch/CJfaKWsYWZmiHhUaJoe64T?second=72&autoplay=1[label]1:12 Set up of the Solvent Analysis panel[link end]
[link]video.chemcomp[d]com/watch/CJfaKWsYWZmiHhUaJoe64T?second=193&autoplay=1[label]3:13 Loading the results of a Solvent Analysis simulation[link end]
[link]video.chemcomp[d]com/watch/CJfaKWsYWZmiHhUaJoe64T?second=212&autoplay=1[label]3:32 Predicted water sites and the Solvent Analysis - Sites panel[link end]
[link]video.chemcomp[d]com/watch/CJfaKWsYWZmiHhUaJoe64T?second=256&autoplay=1[label]4:16 Comparing predicted water sites to crystallographic waters[link end]
[link]video.chemcomp[d]com/watch/CJfaKWsYWZmiHhUaJoe64T?second=288&autoplay=1[label]4:48 Green (stable) and red (unfavorable) water sites[link end]
[link]video.chemcomp[d]com/watch/CJfaKWsYWZmiHhUaJoe64T?second=319&autoplay=1[label]5:19 Using the Solvent Analysis - Sites panel in Receptor mode[link end]
[link]video.chemcomp[d]com/watch/CJfaKWsYWZmiHhUaJoe64T?second=390&autoplay=1[label]6:30 Using the Solvent Analysis - Sites panel in Complex mode[link end]
