Conformation of a polymer chain in solution: An exact density expansion approach
MP Taylor - The Journal of chemical physics, 2004 - pubs.aip.org
The conformation of a polymer chain in solution is intrinsically coupled to the thermodynamic
and structural properties of the solvent. Here we study such solvent effects in a system …
and structural properties of the solvent. Here we study such solvent effects in a system …
Long time dynamics of met-enkephalin: Tests of mode-coupling theory and implicit solvent models
We test a theory for the long time conformational dynamics of the penta-peptide Met-
enkephalin by comparison with the explicit solvent molecular dynamics and implicit solvent …
enkephalin by comparison with the explicit solvent molecular dynamics and implicit solvent …
Solvation potentials for flexible chain molecules in solution: On the validity of a pairwise decomposition
MP Taylor, GM Petersen - The Journal of chemical physics, 2007 - pubs.aip.org
The effects of a solvent on the conformation of a flexible n-site solute molecule can be
described formally in terms of an n-body solvation potential. Given the practical difficulty in …
described formally in terms of an n-body solvation potential. Given the practical difficulty in …
Conformation of a flexible chain in explicit solvent: Exact solvation potentials for short Lennard-Jones chains
MP Taylor, SR Adhikari - The Journal of chemical physics, 2011 - pubs.aip.org
The average conformation of a flexible chain molecule in solution is coupled to the local
solvent structure. In a dense solvent, local chain structure often mirrors the pure solvent …
solvent structure. In a dense solvent, local chain structure often mirrors the pure solvent …