Author

D. Y. Kyu

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Pharmacology & Toxicology· 1

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Research Focus:database / resource· 1 Approach:deep learning· 1 Approach:statistical model· 1

Frequent Co-Authors

D. Mobley· 1 shared G. Duarte Ramos Matos· 1 shared H. H. Loeffler· 1 shared J. D. Chodera· 1 shared M. R. Shirts· 1 shared

Activity by Year

2017-2017 · peak 1/yr

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5 top collaborators · 10 mutual co-author links

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1 shared paperPharmacology & Toxicology

D. Mobley

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1 paper

Recent·Most cited

Approaches for calculating solvation free energies and enthalpies demonstrated with an update of the FreeSolv database

G. Duarte Ramos Matos, D. Y. Kyu, H. H. Loeffler, J. D. Chodera, M. R. Shirts, D. Mobley

The paper updates the FreeSolv database with calculated solvation free energies, enthalpies, and entropies using a single protocol and provides input files for molecular simulations.

bioRxiv · Jan 30, 2017Pharmacology & Toxicology