Substructured molecular dynamics using multibody dynamics algorithms
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Publication:620328
DOI10.1016/J.IJNONLINMEC.2008.04.003zbMath1203.70029OpenAlexW2012177397MaRDI QIDQ620328
Rudranarayan M. Mukherjee, Kurt S. Anderson, Steven J. Plimpton, Paul S. Crozier
Publication date: 19 January 2011
Published in: International Journal of Non-Linear Mechanics (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.ijnonlinmec.2008.04.003
Biochemistry, molecular biology (92C40) Protein sequences, DNA sequences (92D20) Dynamics of multibody systems (70E55) Software, source code, etc. for problems pertaining to mechanics of particles and systems (70-04)
Related Items (5)
An improved fast multipole method for electrostatic potential calculations in a class of coarse-grained molecular simulations ⋮ Optimization problem and efficient partitioning algorithm for transitions to finer-scale models in adaptive resolution simulation of articulated biopolymers ⋮ Extension of the divide-and-conquer algorithm for the efficient inverse dynamics analysis of multibody systems ⋮ Model transitions and optimization problem in multi-flexible-body systems: application to modeling molecular systems ⋮ Canonical ensemble simulation of biopolymers using a coarse-grained articulated generalized divide-and-conquer scheme
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