Author

David L. Mobley

Primary ORCID profile (0000-0002-1083-5533 · 1 paper)Unclaimed ORCID profile · follow to get notified of new preprints

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David L. MobleyiD1 paper

Biology Disciplines

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Signature Assays, Organisms & Methods

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Research Focus:benchmarking· 2 Approach:experimental assay· 1 Approach:statistical model· 1

Frequent Co-Authors

Ariën S Rustenburg· 1 shared Baiwei Lin· 1 shared Christoph Klein· 1 shared Daniel F. Ortwine· 1 shared David A. Case· 1 shared Ellen D. Zhong· 1 shared Jason M. Swails· 1 shared Jian Yin· 1 shared

Activity by Year

2016-2016 · peak 2/yr

Co-Author Collaboration Network

10 top collaborators · 20 mutual co-author links

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1 shared paperBiophysics

Ariën S Rustenburg

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2 papers

Recent·Most cited

Measuring experimental cyclohexane-water distribution coefficients for the SAMPL5 challenge

Ariën S Rustenburg, Justin Dancer, Baiwei Lin, Jianwen A. Feng, Daniel F. Ortwine, David L. Mobley, John D. Chodera

The paper measures cyclohexane-water distribution coefficients for 53 druglike compounds and evaluates their use in assessing predictive physical models for drug discovery.

bioRxiv · Sep 28, 2016Biophysics

Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset

Michael R. Shirts, Christoph Klein, Jason M. Swails, Jian Yin, Michael K. Gilson, David L. Mobley, David A. Case, Ellen D. Zhong

The paper compares molecular dynamics engines on the SAMPL5 dataset, finding high agreement in energy calculations but highlighting discrepancies due to Coulomb constant choices.

bioRxiv · Sep 25, 2016Biophysics