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Publications by Shweta Purawat
A Kepler Workflow Tool for Reproducible AMBER GPU Molecular Dynamics
Biophysical Journal
Biophysics
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Molecular Dynamics Simulation Workflow for Nucleosome Studies
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Loos: A Tool for Making Tools to Analyze Molecular Dynamics Simulations
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UWoN (User Workflow Notation): A Visualization Tool for User Workflow Analysis and Modeling for Developing Healthcare IT
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A GPU-based Preconditioned Newton-Krylov Solver for Flexible Multibody Dynamics
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Generalized Born Based Continuous Constant pH Molecular Dynamics in Amber: Implementation, Benchmarking and Analysis