Author

J. M. H. Olsen

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Biophysics· 1

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Approach:deep learning· 1 Organism:human· 1 Assay:metagenomics· 1 Research Focus:protein folding & dynamics· 1 Approach:statistical model· 1

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M. Parrinello· 1 shared P. Carloni· 1 shared R. Capelli· 1 shared S. Meloni· 1 shared U. Rothlisberger· 1 shared V. Bolnykh· 1 shared W. Lyu· 1 shared

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2020-2020 · peak 1/yr

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7 top collaborators · 21 mutual co-author links

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1 shared paperBiophysics

M. Parrinello

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1 paper

Recent·Most cited

BiophysicsThe Journal of Physical Chemistry LettersPeer-reviewedJul 16, 2020

On the accuracy of molecular simulation-based predictions of koff values: a Metadynamics study

R. Capelli, W. Lyu, V. Bolnykh…·P. Carloni

This paper evaluates the accuracy of molecular simulations in predicting koff values for drug unbinding using metadynamics and QM/MM methods, finding discrepancies due to force field limitations.

DOI 10.1021/acs.jpclett.0c00999

humanmetagenomics

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