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Fig. 3 | Journal of Cheminformatics

Fig. 3

From: 3DDPDs: describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors

Fig. 3

Representation of the GPCRs dynamic behavior by 3DDPDs. a Dynamic fluctuations of the residues of six GPCRs from the set, represented by their RMSF (Å). The RMSF values are mapped to their corresponding positions in the MSA later used for rs3DDPD and non-dynamic descriptor calculation, for easier visualization. The regions in the MSA corresponding to domains TM 1–7 are shadowed for reference. Data for the complete set of 26 GPCRs is available in Additional file 2: Fig S1. b Representation of the rs3DDPD feature values for the same subset of GPCRs. Data for the complete set of 26 GPCRs is available in Additional file 2: Fig S3. c Representation of the ps3DDPD feature values for the same subset of GPCRs. Data for the complete set of 26 GPCRs is available in Additional file 2: Fig S4

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Journal of Cheminformatics

ISSN: 1758-2946

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