Author

C. I. Bayly

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

Frequent Co-Authors

C. D. Stern· 2 shared D. G. A. Smith· 2 shared D. L. Mobley· 2 shared J. D. Chodera· 2 shared D. L. Dotson· 1 shared J. Fass· 1 shared J. Maat· 1 shared L.-P. Wang· 1 shared

Activity by Year

2020-2022 · peak 1/yr

Co-Author Collaboration Network

8 top collaborators · 24 mutual co-author links

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2 shared papersBiophysics

C. D. Stern

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2 papers

Recent·Most cited

BiophysicsbioRxivPreprintJan 17, 2022

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…·J. D. Chodera

DOI 10.1101/2022.01.17.476653

statistical model

𝕏 PostBluesky

BiophysicsbioRxivPreprintAug 27, 2020

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. 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.

DOI 10.1101/2020.08.27.270934

statistical modelbenchmarking

𝕏 PostBluesky