Results 231 to 240 of about 6,841,171 (281)

Advances in Rheology and Polymer Processing. [PDF]

open access: yesPolymers (Basel)
Fernandes C, Ferrás LL, Afonso AM.
europepmc   +1 more source

Brownian Dynamics Simulations of Biological Molecules

open access: yesTrends in Chemistry, 2019
Brownian dynamics (BD) is a technique for carrying out computer simulations of physical systems that are driven by thermal fluctuations. Biological systems at the macromolecular and cellular level, while falling in the gap between well-established atomic-level models and continuum models, are especially suitable for such simulations. We present a brief
James Andrew McCammon, Gary A Huber
exaly   +4 more sources

Approaches for Fast Brownian Dynamics Simulation with Constraints

Journal of Computational Physics, 2023
zbMATH Open Web Interface contents unavailable due to conflicting licenses.
William T. Funkenbusch   +2 more
openaire   +2 more sources

Brownian dynamics simulations of mesoscale chromatin fibers

Biophysical Journal, 2023
The relationship between chromatin architecture and function defines a central problem in biology and medicine. Many computational chromatin models with atomic, coarse-grained, mesoscale, and polymer resolution have been used to shed light onto the mechanisms that dictate genome folding and regulation of gene expression.
Zilong, Li   +2 more
openaire   +2 more sources

Interfacing Brownian dynamics simulations

The Journal of Chemical Physics, 2004
Starting from the flux of particles in a Brownian dynamics simulation we derive boundary conditions, which allow us (i) to couple a Brownian dynamics calculation to a reservoir of particles of a given density, i.e., setting up constant density boundary conditions, and (ii) to build an interface between Brownian dynamics and a diffusional treatment of ...
T, Geyer, C, Gorba, V, Helms
openaire   +2 more sources

CUDA-Accelerated Simulation of Brownian Dynamics

Proceedings of the Practice and Experience on Advanced Research Computing, 2018
Molecular simulations are increasingly used to study nanoscale biological and synthetic systems. To model interactions between molecules, we look to Brownian Dynamics. An n-body problem, the calculation of pairwise forces between molecules is naively an O(n2) algorithm. In our work, we begin with a single-threaded C++ code, simulating toluene (C6H5CH3)
Kevin Dice   +4 more
openaire   +1 more source

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