Author

S. Meloni

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Biology Disciplines

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Biophysics· 1

Signature Assays, Organisms & Methods

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

Frequent Co-Authors

J. M. H. Olsen· 1 shared M. Parrinello· 1 shared P. Carloni· 1 shared R. Capelli· 1 shared U. Rothlisberger· 1 shared V. Bolnykh· 1 shared W. Lyu· 1 shared

Activity by Year

2020-2020 · peak 1/yr

Co-Author Collaboration Network

7 top collaborators · 21 mutual co-author links

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1 shared paperBiophysics

J. M. H. Olsen

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1 paper

Recent·Most cited

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

R. Capelli, W. Lyu, V. Bolnykh, S. Meloni, J. M. H. Olsen, U. Rothlisberger, M. Parrinello, 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.

The Journal of Physical Chemistry Letters · Jul 16, 2020Peer-reviewedBiophysics