Conformational properties of branched polymers: Theory and simulations

JJ Freire - Branched polymers ii, 1999 - Springer
The prediction and interpretation of conformational properties of branched polymers is
difficult, due to the complexity and variety of these structures. Numerical simulations are …

Hydrodynamic properties of rodlike and disklike particles in dilute solution

A Ortega, J Garcıa de la Torre - The Journal of chemical physics, 2003 - pubs.aip.org
The hydrodynamic properties of cylindrical rodlike and discoidal particles in dilute solution
have been computed using the bead-shell model treatment. Previous results Tirado and …

Hydrodynamic properties of rigid particles: comparison of different modeling and computational procedures

B Carrasco, JG de la Torre - Biophysical journal, 1999 - cell.com
The hydrodynamic properties of rigid particles are calculated from models composed of
spherical elements (beads) using theories developed by Kirkwood, Bloomfield, and their …

Brownian dynamics simulation of wormlike chains. Fluorescence depolarization and depolarized light scattering

SA Allison - Macromolecules, 1986 - ACS Publications
Brownian dynamics is used to simulate fluorescence depolarization and depolarized light
scattering from a discrete wormlike chain model. Flexible constraints are used tohold …

Translational friction coefficients for cylinders of arbitrary axial ratios estimated by Monte Carlo simulation

S Hansen - The Journal of chemical physics, 2004 - pubs.aip.org
Translational friction coefficients for cylinders of arbitrary axial ratios (including disks) are
calculated using Monte Carlo simulation and an approximate description of the …

Orientationally averaged version of the Rotne–Prager–Yamakawa tensor provides a fast but still accurate treatment of hydrodynamic interactions in Brownian …

JW Tworek, AH Elcock - Journal of chemical theory and …, 2023 - ACS Publications
The Brownian dynamics (BD) simulation technique is widely used to model the diffusive and
conformational dynamics of complex systems comprising biological macromolecules. For …

Bending and twisting dynamics of short linear DNAs. Analysis of the triplet anisotropy decay of a 209 base pair fragment by Brownian simulation

S Allison, R Austin, M Hogan - The Journal of chemical physics, 1989 - pubs.aip.org
Brownian dynamics is used to simulate the decay anisotropy of short linear DNA fragments
modeled as a string of beads. The model is sufficiently general to allow for static bends …

Hydrodynamic properties of wormlike macromolecules: Monte Carlo simulation and global analysis of experimental data

D Amorós, A Ortega, J García de la Torre - Macromolecules, 2011 - ACS Publications
A Monte Carlo simulation, coupled with bead-model hydrodynamic calculation, has been
employed to predict hydrodynamic coefficients and other solution properties, of wormlike …

Monte Carlo calculations for linear and star polymers with intramolecular interactions. 2. Nonpreaveraged study of hydrodynamic properties at the θ state

JJ Freire, A Rey, J Garcia de la Torre - Macromolecules, 1986 - ACS Publications
The hydrodynamic properties of linear and star polymers represented by a model with a
Gaussian distribution of distances between neighboring elements and a Lennard-Jones …

Simuflex: algorithms and tools for simulation of the conformation and dynamics of flexible molecules and nanoparticles in dilute solution

JG de la Torre, JG Hernandez Cifre… - Journal of chemical …, 2009 - ACS Publications
A computer programs suite, SIMUFLEX, has been constructed for the calculation of solution
properties of flexible macromolecules modeled as bead-and-connector models of arbitrary …