In the active conformation, the hydroxyl group of Tyr553 is located in the area that contacts the polar heads of lipids at the inner side of the membrane, making favourable interactions.
Results reveal that Ala-P1 of the inhibitor is not able to make favourable electrostatic interactions at the S1/S2 pockets of DV.
Campbell has made favourable noises about coalition in the past.
Furthermore, Leu941 favoured binding to H4K20me3 peptide by forming favourable interactions with the receptor residues.
Depending on the contributions, the respective float values have different prefixes: for ChemScore_PLP.Hbond, ChemScore_PLP.CHO and ChemScore_PLP.Metal, positive values represent favourable interactions, for the other contributions negative values represent favourable interactions.
Correlation is excellent especially for parameters corresponding to favourable interactions, that are by definition highly represented in the datasets.
Determine the P elements (m, n) whose value is < 0 in the pose PADIF (favourable interactions in the pose fingerprint).
This drug molecule fits in the active site and favourable interactions are observed with the same residues.
This energy of Tyr973 arose from the slightly less favourable interactions with Asp933, Asp934 and Trp967.
Asp934 had favourable interactions with the dimethyllysine that were mainly dominated by hydrogen bonds.
