Related papers: Semi-flexible hydrogen-bonded and non-hydrogen bon…
We study the translocation of a semiflexible polymer through extended pores with patterned stickiness, using Langevin dynamics simulations. We find that the consequence of pore patterning on the translocation time dynamics is dramatic and…
We have carried out a detailed study of the chemical bonding for two room-temperature stable platinum silicide phases, tetragonal alpha-Pt_2Si and orthorhombic PtSi. An analysis of the valence electronic charge density reveals surprising…
The study of the effect of random impurities on the collapse of a flexible polymer in dilute solution has had recent attention with consideration of semi-stiff interacting self-avoiding walks on the square lattice. In the absence of…
We have investigated the effects of either distorting hydrogen bonds or removing proton degeneracy on the thermodynamic properties of a minimal model for associating liquids. The presence of two liquid phases and a density anomaly is…
The transition from a weak-disorder (diffusive phase) to a strong-disorder (localized phase) for directed polymers in a random environment is a well studied phenomenon. In the most common setup, it is established that the phase transition…
We consider the statics and dynamics of a flexible polymer confined between parallel plates both in the presence and absence of hydrodynamic interactions. The hydrodynamic interactions are described at the level of the fluctuating,…
The kinetic behavior of a three-dimensional off-lattice heteropolymer model is studied in terms of the time dependence of the average mean-square displacement between configurations. It is found that at short time-scales similar behavior is…
The problem of the helix-coil transition of biopolymers in explicit solvents, like water, with the ability for hydrogen bonding with solvent is addressed analytically using a suitably modified version of the Generalized Model of Polypeptide…
We investigate the phase diagram of a one-dimensional model of hardcore bosons or spinless fermions with tunable nearest-neighbor interactions. By introducing alternating repulsive and attractive interactions on consecutive bonds, we show…
The Landau-Ginzburg-Wilson hamiltonian is studied for different values of the parameter $\lambda$ which multiplies the quartic term (it turns out that this is equivalent to consider different values of the coherence length $\xi$ in units of…
We study the thermodynamic behavior of a model protein with 54 amino acids that is designed to form a three-helix bundle in its native state. The model contains three types of amino acids and five to six atoms per amino acid, and has the…
Interest in the protein folding problem has motivated a wide range of theoretical and experimental studies of the kinetics of the collapse of flexible homopolymers. In this Paper a phenomenological model is proposed for the kinetics of the…
Intermolecular forces are known to precipitate adhesion events between solid bodies. Inspired by a macro-scale experiment showing the hysteretic adhesion of a piece of flexible tape over a plastic substrate, we develop here a model of…
We study the equilibrium and nonequilibrium formation of four-particle complexes in a balanced two-species Bose-Hubbard model with repulsive intra- and attractive inter-species interactions. Using exact diagonalization, we characterize the…
Generic interactions e.g. the Coulomb or other long ranged radially symmetric repulsive interactions between monomers of bead-spring model of a semi-flexible polymer induce instabilities in a initially straight polymer chain to form long…
Inhomogeneity and anisotropy play a crucial role in attributing articular cartilage its properties. The frictionless contact model constructed here consists in two thin biphasic transversely isotropic transversely homogeneous (TITH)…
Coulomb repulsion between the unevenly-bounded bonding "-" and nonbonding ":" electron pairs in the "O2- : H+/p-O2-" hydrogen-bond is found to originate the anomalies of low-compressibility, phonon relaxation dynamics, proton symmetrization…
We report extensive simulation studies of phase behaviour in single component systems of particles interacting via a core-softened interparticle potential. Two recently proposed examples of such potentials are considered; one in which the…
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…
A phenomenological model is proposed for melting of a vortex lattice, based on screening of the elastic shear modulus by mobile or partially pinned dislocations. A first-order softening line is found and ends at a critical point beyond…