Journal Article Research Support, U.S. Gov't, Non-P.H.S. Research Support, N.I.H., Extramural Proteins protein folding Peptides Research Support, Non-U.S. Gov't Solvents enhanced sampling intrinsically disordered proteins molecular dynamics replica exchange 059QF0KO0R Amino Acids Intrinsically Disordered Proteins Oligopeptides Water generalized Born CHARMM Gibbs sampling Hamiltonian scaling Lipid Bilayers Nanocapsules OpenMM Research Support, U.S. Gov't, P.H.S. conformational ensemble continuum electrostatics disordered proteins hairpin independence sampling