
Molecular dynamics methods to predict peptide locations in membranes: LAH4 as a stringent test case
Keywords: PMF; potential of mean force; AA; all-atom; CG; coarse-grained; MD; molecular dynamics; CPP; cell-penetrating peptide; FF; force-field; ATR-FTIR; attenuated total reflection Fourier-transform IR; OCD; oriented circular dichroism; TM; transmembrane; LAH4-c