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Table 1 The 10 highest affinity peptides found with GAMPMS compared with the native α-CTx MII peptide for binding with α3β2-nAChR

From: SPIDR: small-molecule peptide-influenced drug repurposing

Peptidea

∆Gbindb

GCCS Y PVC YWTN SNLC

−21.07

GCCS Y PVCH WQS SN F C

− 20.91

GCCS Y PVC YWQS SN V C

−20.91

GCCS Y PVCH WSS SN F C

−20.88

GCCS Y PVCH WSS SN W C

−20.79

GCCS Y PVC SWKS SN F C

−20.74

GCCS Y PVCH WYS SN V C

−20.73

GCCS Y PVC KWSN SN G C

−20.71

GCCS Y PVC NWSS SN W C

−20.68

GCCS Y PVCH WKS SN G C

−20.66

GCCSNPVCHLEHSNLC (MII)

−12.38

  1. aMutations in bold type; bkcal/mol, estimated in AutoDock
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BMC Bioinformatics

ISSN: 1471-2105

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