TY - JOUR
T1 - Collapse transition of a hydrophobic self-avoiding random walk in a coarse-grained model solvent
AU - Gaudreault, Mathieu
AU - Viñals, Jorge
PY - 2009/8/17
Y1 - 2009/8/17
N2 - In order to study solvation effects on protein folding, we analyze the collapse transition of a self-avoiding random walk composed of hydrophobic segments that is embedded in a lattice model of a solvent. As expected, hydrophobic interactions lead to an attractive potential of mean force among chain segments. As a consequence, the random walk in solvent undergoes a collapse transition at a higher temperature than in its absence. Chain collapse is accompanied by the formation of a region depleted of solvent around the chain. In our simulation, the depleted region at collapse is as large as our computational domain.
AB - In order to study solvation effects on protein folding, we analyze the collapse transition of a self-avoiding random walk composed of hydrophobic segments that is embedded in a lattice model of a solvent. As expected, hydrophobic interactions lead to an attractive potential of mean force among chain segments. As a consequence, the random walk in solvent undergoes a collapse transition at a higher temperature than in its absence. Chain collapse is accompanied by the formation of a region depleted of solvent around the chain. In our simulation, the depleted region at collapse is as large as our computational domain.
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U2 - 10.1103/PhysRevE.80.021916
DO - 10.1103/PhysRevE.80.021916
M3 - Article
C2 - 19792160
AN - SCOPUS:69449107084
SN - 1539-3755
VL - 80
JO - Physical Review E - Statistical, Nonlinear, and Soft Matter Physics
JF - Physical Review E - Statistical, Nonlinear, and Soft Matter Physics
IS - 2
M1 - 021916
ER -