TY - JOUR
T1 - Statistical properties of contact maps
AU - Vendruscolo, Michele
AU - Subramanian, Balakrishna
AU - Kanter, Ido
AU - Domany, Eytan
AU - Lebowitz, Joel
PY - 1999
Y1 - 1999
N2 - A contact map is a simple representation of the structure of proteins and other chainlike macromolecules. This representation is quite amenable to numerical studies of folding. We show that the number of contact maps corresponding to the possible configurations of a polypeptide chain of N amino acids, represented by [Formula Presented]-step self-avoiding walks on a lattice, grows exponentially with N for all dimensions [Formula Presented] We carry out exact enumerations in [Formula Presented] on the square and triangular lattices for walks of up to 20 steps and investigate various statistical properties of contact maps corresponding to such walks. We also study the exact statistics of contact maps generated by walks on a ladder.
AB - A contact map is a simple representation of the structure of proteins and other chainlike macromolecules. This representation is quite amenable to numerical studies of folding. We show that the number of contact maps corresponding to the possible configurations of a polypeptide chain of N amino acids, represented by [Formula Presented]-step self-avoiding walks on a lattice, grows exponentially with N for all dimensions [Formula Presented] We carry out exact enumerations in [Formula Presented] on the square and triangular lattices for walks of up to 20 steps and investigate various statistical properties of contact maps corresponding to such walks. We also study the exact statistics of contact maps generated by walks on a ladder.
UR - http://www.scopus.com/inward/record.url?scp=0001478069&partnerID=8YFLogxK
U2 - 10.1103/PhysRevE.59.977
DO - 10.1103/PhysRevE.59.977
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AN - SCOPUS:0001478069
SN - 1063-651X
VL - 59
SP - 977
EP - 984
JO - Physical Review E
JF - Physical Review E
IS - 1
ER -