Canonical ensemble simulation of biopolymers using a coarse-grained articulated generalized divide-and-conquer scheme
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Publication:483854
DOI10.1016/j.cpc.2012.10.029zbMath1302.82137MaRDI QIDQ483854
Kurt S. Anderson, Mohammad Poursina
Publication date: 17 December 2014
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.cpc.2012.10.029
canonical ensemble; multibody dynamics; Nosé-Hoover thermostat; coarse-grained modeling; generalized divide-and-conquer-algorithm; thermostat generalized feedback force
82D60: Statistical mechanics of polymers
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Cites Work
- Unnamed Item
- Unnamed Item
- A divide-and-conquer direct differentiation approach for multibody system sensitivity analysis
- Substructured molecular dynamics using multibody dynamics algorithms
- Orthogonal complement based divide-and-conquer algorithm for constrained multibody systems
- Derivation and testing of explicit equations of motion for polymers described by internal coordinates
- A fast recursive algorithm for molecular dynamics simulation
- An efficient direct differentiation approach for sensitivity analysis of flexible multibody systems
- Efficient methodology for multibody simulations with discontinuous changes in system definition
- Numerical solution of ordinary simultaneous differential equations of the 1st order using a method for automatic step change
- Efficient Coarse-Grained Molecular Simulations in the Multibody Dynamics Scheme
- An order n formulation for the motion simulation of general multi-rigid-body tree systems
- Linear Algebra - Theorems and Applications