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Improving the Performance of Molecular Dynamics Simulations on Parallel Clusters

https://doi.org/10.1021/ci034261e
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/jcc.540040211openalex-snapshot
CHARMM : A program for macromolecular energy, minimization, and dynamics calculations
inferredcites →https://doi.org/10.1002/qua.1301openalex-snapshot
Symplectic molecular dynamics integration using normal mode analysis
inferredcites →https://doi.org/10.1002/qua.1303openalex-snapshot
Implementation and evaluation of MPI‐based parallel MD program
inferredcites →https://doi.org/10.1007/978-3-642-76265-9openalex-snapshot
Parallel Algorithms in Computational Science
inferredcites →https://doi.org/10.1016/0167-8191(93)90095-3openalex-snapshot
Parallel algorithm for molecular dynamics integration
inferredcites →https://doi.org/10.1016/0167-8191(96)00024-5openalex-snapshot
A high-performance, portable implementation of the MPI message passing interface standard
inferredcites →https://doi.org/10.1016/s0167-8191(02)00222-3openalex-snapshot
Message passing and shared address space parallelism on an SMP cluster
inferredcites →https://doi.org/10.1016/s0167-8191(98)00114-8openalex-snapshot
Efficient parallel algorithms for molecular dynamics simulations
inferredcites →https://doi.org/10.1021/ci034145bopenalex-snapshot
Molecular Dynamics Integration Time Step Dependence of the Split Integration Symplectic Method on System Density
inferredcites →https://doi.org/10.1080/08927029108022142openalex-snapshot
Generalized Verlet Algorithm for Efficient Molecular Dynamics Simulations with Long-range Interactions
inferredcites →https://doi.org/10.1093/nar/28.1.235openalex-snapshot
The Protein Data Bank
inferredcites →https://doi.org/10.1109/40.342015openalex-snapshot
Myrinet: a gigabit-per-second local area network
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Proceedings of the 1999 International Conference on Parallel Processing
inferredcites →https://doi.org/10.2172/378910openalex-snapshot
Users guide for mpich, a portable implementation of MPI
inferredcites →https://doi.org/10.48550/arxiv.cs/0206038openalex-snapshot
A Multilevel Approach to Topology-Aware Collective Operations in Computational Grids

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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The distributed diagonal force decomposition method for parallelizing molecular dynamics simulations
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NMR and Molecular Dynamics Study of the Binding Mode of Naphthalene-N-sulfonyl- d- glutamic Acid Derivatives: Novel MurD Ligase Inhibitors
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