Fragments Peptides Projects

Project Others Method ID/Specs Description Peptide Type Fragment Sequence
Complex structure mAB MN423 X-ray 2V17 None Wild Type Tau386-391 TDHGAE
Peptide-protein docking mAB MN423 DOCK None None Wild Type Tau386-391 TDHGAE
Simulations MD all atoms None Wild Type Tau5(218-226) PPTREPKKV
Thr-Glu intramolecular H-bond MD-Simulat Force field comparison: Amber99SB-disp + TIP4PD vs. CHARMM36m + TIP3P Wild Type Tau5(218-226) PPTREPKKV
Simulation MD all atoms None Wild Type Tau321-391 KCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTFRENAKAKTDHGAE
Simulations MD coarse grained None Wild Type Tau321-391 KCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTFRENAKAKTDHGAE
Simulation MD BIAS Exchange None Wild Type Tau321-391 KCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTFRENAKAKTDHGAE
Simulation MD Replica exchange, parallel temepring None Wild Type Tau321-391 KCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTFRENAKAKTDHGAE
Simulation MD guided by NMR/SAXS data None Wild Type Tau321-391 KCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTFRENAKAKTDHGAE
Simulation mAB DC11 MD all atom () None Wild Type Tau321-391 KCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTFRENAKAKTDHGAE
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