Energy landscapes of a hairpin peptide including NMR chemical shift restraints

Joanne M. Carr, Chris S. Whittleston, David C. Wade, David J. Wales
2015 Physical Chemistry, Chemical Physics - PCCP  
Energy landscapes for trpzip1 peptide sampled as the relative weight of forcefield and NMR restraint potential contributions is systematically varied.
doi:10.1039/c5cp01259g pmid:26186565 fatcat:dwm3k4dprbgglhzhiba4sgiijm