Short-time dynamics of polypeptides.
The authors study the short-time dynamics of helix-forming polypeptide chains using an all-atom representation of the molecules and an implicit solvation model to approximate the interaction with the surrounding solvent. The results confirm earlier observations that the helix-coil transition in proteins can be described by a set of critical exponents. The high statistics of the simulations allows the authors to determine the exponent values with increased precision and support universality of the helix-coil transition in homopolymers and (helical) proteins.
Arashiro
Everaldo
E
John v. Neumann Institute for Computing, Forschungszentrum Jülich, 52425 Jülich, Germany. e.arashiro@fz-juelich.de
Drugowich de Felício
J R
JR
Hansmann
Ulrich H E
UH
D003198:Computer Simulation; D007700:Kinetics; D008956:Models, Chemical; D008958:Models, Molecular; D010455:Peptides / Q000737:chemistry*; D011487:Protein Conformation; D012997:Solvents / Q000737:chemistry
D010455:Peptides; D012997:Solvents; C019529:polyalanine