molecular dynamics simulation of the EntF* peptide, residue 12 in D form -starting coordinates posre.gro: energy minimized and water+ions equilibrated around peptide -topology topol.top: force field A
Simulations analyzed in: Jephthah, Stéphanie, et al. ‘Force Field Effects in Simulations of Flexible Peptides with Varying Polyproline II Propensity’. Journal of Chemical Theory and Computation, vol
Sugar amino acids (SAAs) are useful building blocks for the design of peptidomimetics and peptide scaffolds. The three-dimensional structures of cyclic hybrid molecules containing the furanoid ε-SAA I
Summary table of the average percentage of structures in different structural superclusters formed by the 109–122 and 109–122 A117Vpeptides during simulations.
molecular dynamics simulation of the EntF* peptide, residue 4 in D form -starting coordinates posre.gro: energy minimized and water+ions equilibrated around peptide -topology topol.top: force field AM
