Author

D. Mobley

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

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Biochemistry· 1 Biophysics· 1 Pharmacology & Toxicology· 1

Signature Assays, Organisms & Methods

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Approach:deep learning· 3 Approach:statistical model· 2 Research Focus:database / resource· 1 Organism:human· 1 Research Focus:protein folding & dynamics· 1 Assay:proteomics· 1

Frequent Co-Authors

J. D. Chodera· 2 shared M. R. Shirts· 2 shared A. Rizzi· 1 shared B. Rizzuti· 1 shared C. C. Bannan· 1 shared C. I. Bayly· 1 shared D. Y. Kyu· 1 shared G. Duarte Ramos Matos· 1 shared

Activity by Year

2016-2018 · peak 1/yr

Co-Author Collaboration Network

10 top collaborators · 24 mutual co-author links

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2 shared papersBiophysics

J. D. Chodera

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Author profile →

3 papers

Recent·Most cited

Open Force Field Consortium: Escaping atom types using direct chemical perception with SMIRNOFF v0.1

D. Mobley, C. C. Bannan, A. Rizzi, C. I. Bayly, J. D. Chodera, V. T. Lim, N. M. Lim, K. A. Beauchamp, M. R. Shirts, M. K. Gilson, P. K. Eastman

The paper introduces a new approach to molecular mechanics force fields using direct chemical perception, reducing parameter count while maintaining accuracy.

bioRxiv · Jul 13, 2018 · PreprintBiophysics

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

Multiple binding modes of ibuprofen in human serum albumin identified by absolute binding free energy calculations

S. Evoli, D. Mobley, R. Guzzi, B. Rizzuti

This paper uses absolute binding free energy calculations to predict ibuprofen's binding modes, affinity, and protonation state in human serum albumin, revealing new binding sites and confirming known ones.

bioRxiv · Aug 8, 2016Biochemistry