Abstract:In this work the role of spherical confinement combined with single and block mutations in small peptides on the onset of specific conformational states is analyzed. An intramolecular potential for the polypeptide chain, composed by a bending term plus a Lennard‐Jones type long range potential is proposed. For the intermolecular interaction with the sphere an integrated Lennard‐Jones (LJ) type potential is used between monomers and the sphere surface. To compute the set of minima values for the total intra and… Show more
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