Author

C. D. Stern

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

Frequent Co-Authors

J. D. Chodera· 3 shared C. I. Bayly· 2 shared D. G. A. Smith· 2 shared D. L. Mobley· 2 shared L.-P. Wang· 2 shared A. C. Simmonett· 1 shared B. R. Brooks· 1 shared D. L. Dotson· 1 shared

Activity by Year

2017-2022 · peak 1/yr

Co-Author Collaboration Network

10 top collaborators · 29 mutual co-author links

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3 shared papersBiophysics

J. D. Chodera

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3 papers

Recent·Most cited

Capturing non-local through-bond effects in molecular mechanics force fields: II. Using fractional bond orders to fit torsion parameters

C. D. Stern, J. Maat, D. L. Dotson, C. I. Bayly, D. G. A. Smith, D. L. Mobley, J. D. Chodera

bioRxiv · Jan 17, 2022 · PreprintBiophysics

Capturing non-local through-bond effects in molecular mechanics force fields I: Fragmenting molecules for quantum chemical torsion scans

C. D. Stern, C. I. Bayly, D. G. A. Smith, J. Fass, L.-P. Wang, D. L. Mobley, J. D. Chodera

The paper introduces a method to assess and improve fragmentation schemes for quantum chemical torsion scans by using fractional Wiberg bond orders to preserve chemical environment accuracy.

bioRxiv · Aug 27, 2020 · PreprintBiophysics

OpenMM 7: Rapid Development of High Performance Algorithms for Molecular Dynamics

P. Eastman, J. Swails, J. D. Chodera, R. T. McGibbon, Y. Zhao, K. A. Beauchamp, L.-P. Wang, A. C. Simmonett, M. P. Harrigan, C. D. Stern, R. P. Wiewiora, B. R. Brooks, V. S. Pande

OpenMM 7 enables rapid development of high-performance molecular dynamics algorithms with extensible features that work across hardware types without modifying the core toolkit.

bioRxiv · Jun 28, 2017Biophysics