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Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion
Published on: March 1, 2022
Data mining of molecular dynamics trajectories of nucleic acids
Agnes Noy1, Tim Meyer, Manuel Rueda
1Institut de Recerca Biomedica Barcelona, Parc Cientific de Barcelona, Josep Samitier 1-5, Barcelona E-08028. Spain. modesto@mmb.pcb.ub.es.
Journal of Biomolecular Structure & Dynamics
|December 21, 2005
Abstract:
Analysis, storage, and transfer of molecular dynamic trajectories are becoming the bottleneck of computer simulations. In this paper we discuss different approaches for data mining and data processing of huge trajectory files generated from molecular dynamic simulations of nucleic acids.
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