RATE OF INTRA-MOLECULAR CONTACT FORMATION IN SHORT TWO-DIMENSIONAL COMPACT POLYMERS CHAINS
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RATE OF INTRA-MOLECULAR CONTACT FORMATION IN SHORT TWO-DIMENSIONAL COMPACT POLYMERS CHAINS
RATE OF INTRA-MOLECULAR CONTACT FORMATION IN SHORT TWO-DIMENSIONAL COMPACT POLYMERS CHAINS
高分子科学(英文版)2006年第1期 页码:13-19
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This research was financially supported by the National Natural Science Foundation of China(Nos.20174036,20274074,20574052)the Natural Science Foundation of Zhejiang Province(No.R404047).()
DOI:
中图分类号:O631.3
纸质出版:2006
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[1].RATE OF INTRA-MOLECULAR CONTACT FORMATION IN SHORT TWO-DIMENSIONAL COMPACT POLYMERS CHAINS[J].Chinese Journal of Polymer Science,2006(01):13-19.
RATE OF INTRA-MOLECULAR CONTACT FORMATION IN SHORT TWO-DIMENSIONAL COMPACT POLYMERS CHAINS[J]. 2006, (1): 13-19.
[1].RATE OF INTRA-MOLECULAR CONTACT FORMATION IN SHORT TWO-DIMENSIONAL COMPACT POLYMERS CHAINS[J].Chinese Journal of Polymer Science,2006(01):13-19.DOI:
RATE OF INTRA-MOLECULAR CONTACT FORMATION IN SHORT TWO-DIMENSIONAL COMPACT POLYMERS CHAINS[J]. 2006, (1): 13-19.DOI:
RATE OF INTRA-MOLECULAR CONTACT FORMATION IN SHORT TWO-DIMENSIONAL COMPACT POLYMERS CHAINS
It is important to know the rate of intra-molecular contact formation in proteins in order to understand how proteins fold clearly.Here we investigate the rate of intra-molecular contact formation in short two-dimensional compact polymer chains by calculating the probability distribution ρ(r)of end-to-end distance r using the enumeration calculation method and HP model on two-dimensional square lattice.The probability distribution of end-to-end distance p(r)of short two-dimensional compact polymers chains may consist of two parts
i.e.p(r)=p
1
(r)+p
2
(r)
where p
1
(r)and p
2
(r)are different for small r.The rate of contact formation decreases monotonically with the number of bonds N
and the rate approximately conforms to the scaling relation of k(N)∝ N
-α
.Here the value of α increases with the contact radius α and it also depends on the percentage of H(hydrophobic)residues in the sequences of compact chains and the energy parameters of ε
HH
ε
HP
and ε
pp
.Some comparisons of theoretical predictions with experimental results are also made.This investigation may help us to understand the protein folding.
Abstract
It is important to know the rate of intra-molecular contact formation in proteins in order to understand how proteins fold clearly.Here we investigate the rate of intra-molecular contact formation in short two-dimensional compact polymer chains by calculating the probability distribution ρ(r)of end-to-end distance r using the enumeration calculation method and HP model on two-dimensional square lattice.The probability distribution of end-to-end distance p(r)of short two-dimensional compact polymers chains may consist of two parts
i.e.p(r)=p
1
(r)+p
2
(r)
where p
1
(r)and p
2
(r)are different for small r.The rate of contact formation decreases monotonically with the number of bonds N
and the rate approximately conforms to the scaling relation of k(N)∝ N
-α
.Here the value of α increases with the contact radius α and it also depends on the percentage of H(hydrophobic)residues in the sequences of compact chains and the energy parameters of ε
HH
ε
HP
and ε
pp
.Some comparisons of theoretical predictions with experimental results are also made.This investigation may help us to understand the protein folding.
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