Author

D. J. Mermelstein

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Biophysics· 1

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Research Focus:cell signaling & trafficking· 1 Research Focus:chromatin & epigenetic regulation· 1 Approach:deep learning· 1 Research Focus:drug response / drug discovery· 1 Assay:multiome· 1 Research Focus:protein folding & dynamics· 1 Approach:statistical model· 1

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C. Lin· 1 shared G. Nelson· 1 shared J. A. McCammon· 1 shared R. C. Walker· 1 shared R. Kretsch· 1 shared

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2018-2018 · peak 1/yr

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1 shared paperBiophysics

C. Lin

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1 paper

Recent·Most cited

Fast and Flexible GPU Accelerated Binding Free Energy Calculations within the AMBER Molecular Dynamics Package

D. J. Mermelstein, C. Lin, G. Nelson, R. Kretsch, J. A. McCammon, R. C. Walker

The paper introduces a GPU-accelerated implementation of thermodynamic integration in AMBER for faster and more efficient alchemical free energy calculations.

bioRxiv · Jan 15, 2018Biophysics