Author

J. W. Sandberg

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Biophysics· 1

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Approach:deep learning· 1 Research Focus:drug response / drug discovery· 1 Research Focus:protein folding & dynamics· 1 Assay:proteomics· 1 Approach:statistical model· 1

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E. Santiago-McRae· 1 shared G. Brannigan· 1 shared J. Henin· 1 shared M. Ebrahimi· 1 shared

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2022-2022 · peak 1/yr

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4 top collaborators · 6 mutual co-author links

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1 shared paperBiophysics

E. Santiago-McRae

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1 paper

Recent·Most cited

Computing absolute binding affinities by Streamlined Alchemical Free Energy Perturbation (SAFEP)

E. Santiago-McRae, M. Ebrahimi, J. W. Sandberg, G. Brannigan, J. Henin

The paper introduces SAFEP, a framework for computing free energy of binding using alchemical free energy perturbation in NAMD, with a practical example on phenol to lysozyme.

bioRxiv · Dec 9, 2022 · PreprintBiophysics