Interplay of hydrophobic and hydrophilic interactions in sequence-dependent cell penetration of spontaneous membrane-translocating peptides revealed by bias-exchange metadynamics simulations
Zanxia Cao, Lei Liu, Guodong Hu, Yunqiang Bian, Haiyan Li, Jihua Wang, Yaoqi Zhou
Topics & Concepts
MetadynamicsPeptideBiophysicsBilayerChemistryMembraneSequence (biology)Peptide sequencePenetration (warfare)Chromosomal translocationCell membraneMolecular dynamicsLipid bilayerBiochemistryBiologyComputational chemistryGeneOperations researchEngineeringRNA Interference and Gene DeliveryAdvanced biosensing and bioanalysis techniquesNanopore and Nanochannel Transport Studies