Antimicrobial peptides (AMPs) are gaining attention as substitutes for antibiotics in order to combat the risk posed by multi-drug resistant pathogens. Several research groups are engaged in design of
2XWT, Crystal structure of TSH receptor in complex with human mAb autoantibody K1-70 (311K, 38°C, 400 ns): random seed #2. Contains PDBs obtained every 50 ns and free binding energy calculations.
Using the recently published computational model of the CXCR4-CXCL12 complex(Ngo et al., 2020), we investigate binding mechanisms of the super and partial peptide agonists (ASLW and RSVM) in the CXCR4
