Substructured molecular dynamics using multibody dynamics algorithms

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

zbMATH Keywords

open-source softwarecoarse-grained molecular dynamicsmultibody dynamics algorithms

Mathematics Subject Classification ID

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

Uses Software

• AMBER

This page was built for publication: Substructured molecular dynamics using multibody dynamics algorithms