Premium
A molecular mechanical study of the structure of poly(α‐aminoisobutyric acid)
Author(s) -
Alemán Carlos,
Subirana Juan A.,
Perez Juan J.
Publication year - 1992
Publication title -
biopolymers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.556
H-Index - 125
eISSN - 1097-0282
pISSN - 0006-3525
DOI - 10.1002/bip.360320605
Subject(s) - chemistry , dimer , helix (gastropod) , molecule , dielectric , crystallography , solid state , molecular dynamics , polymer chemistry , computational chemistry , stereochemistry , organic chemistry , materials science , ecology , optoelectronics , snail , biology
Abstract A molecular mechanical study has been carried out to determine the most favorable conformation of poly(Aib) both in solution and in the solid state. An energetic approach to the packing has been carried out by studying the stability of pairs of poly(Aib) chains. The study reveals a higher stability of a 3 10 ‐helix when forming part of a dimer whereas in isolated molecules the α‐helix structure seems to be more stable depending on the length of the chain and dielectric constant of the environment.