Conformational Mechanics of Polymer Adsorption Transitions at Attractive Substrates
arXiv:0907.3057 · doi:10.1021/jp808124v
Abstract
Conformational phases of a semiflexible off-lattice homopolymer model near an attractive substrate are investigated by means of multicanonical computer simulations. In our polymer-substrate model, nonbonded pairs of monomers as well as monomers and the substrate interact via attractive van der Waals forces. To characterize conformational phases of this hybrid system, we analyze thermal fluctuations of energetic and structural quantities, as well as adequate docking parameters. Introducing a solvent parameter related to the strength of the surface attraction, we construct and discuss the solubility-temperature phase diagram. Apart from the main phases of adsorbed and desorbed conformations, we identify several other phase transitions such as the freezing transition between energy-dominated crystalline low-temperature structures and globular entropy-dominated conformations.
arXiv comment13 pages, 15 figures
References in corpus (12)
- Multicanonical Chain Growth Algorithm
- Transitions of tethered polymer chains: A simulation study with the bond fluctuation lattice model
- Freezing and Collapse of Flexible Polymers on Regular Lattices in Three Dimensions
- Conformational Transitions of Non-Grafted Polymers Near an Adsorbing Substrate
- The Adsorption and Collapse Transitions in a Linear Polymer Chain near an Attractive Wall
- Layering transitions for adsorbing polymers in poor solvents
- Substrate Specificity of Peptide Adsorption: A Model Study
- Substrate Adhesion of a Nongrafted Flexible Polymer in a Cavity
- Two-State Folding, Folding through Intermediates, and Metastability in a Minimalistic Hydrophobic-Polar Model for Proteins
- Stretching an adsorbed polymer globule
- Coupled folding-binding versus docking: A lattice model study
- Identification of Characteristic Protein Folding Channels in a Coarse-Grained Hydrophobic-Polar Peptide Model
Cited by in corpus (14)
- Systematic Microcanonical Analyses of Polymer Adsorption Transitions
- Comparison of the Adsorption Transition for Grafted and Nongrafted Polymers
- Conformational phase diagram for polymers adsorbed at ultrathin nanowires
- Adsorption and Pattern Recognition of Polymers at Complex Surfaces with Attractive Stripe-like Motifs
- Thermodynamics of polymer adsorption to a flexible membrane
- Polymer Adsorption on Curved Surfaces
- Polymer adsorption on a fractal substrate: numerical study
- Ring polymers in confined geometries
- Structural Arrangements of Polymers Adsorbed at Nanostrings
- Thermodynamics of the Adsorption of Flexible Polymers on Nanowires
- Adsorption of finite polymers in different thermodynamic ensembles
- Adsorption of polymers at nanowires
- Polymers in disordered environments
- Smart Polymeric Recognition of a Hexagonal Monolayer