Author

D. G. A. Smith

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

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Approach:statistical model· 2 Research Focus:benchmarking· 1 Approach:deep learning· 1 Research Focus:host-pathogen & immune response· 1 Assay:imaging· 1 Organism:virus· 1

Frequent Co-Authors

C. D. Stern· 2 shared C. I. Bayly· 2 shared D. L. Mobley· 2 shared J. D. Chodera· 2 shared A. Anandkumar· 1 shared A. Bogetti· 1 shared A. Brace· 1 shared A. Christiansen· 1 shared

Activity by Year

2020-2022 · peak 1/yr

Co-Author Collaboration Network

10 top collaborators · 21 mutual co-author links

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2 shared papersBiophysics

C. D. Stern

Mutual co-authors in cluster

Author profile →

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

#COVIDisAirborne: AI-Enabled Multiscale Computational Microscopy of Delta SARS-CoV-2 in a Respiratory Aerosol

A. Dommer, L. Casalino, F. Kearns, M. Rosenfeld, N. Wauer, S.-H. Ahn, J. Russo, S. Oliveira, C. Morris, A. Bogetti, A. Trifan, A. Brace, T. Sztain, A. Clyde, H. Ma, , Muholland

This paper uses AI-enabled multiscale computational microscopy to study SARS-CoV-2 Delta variant in respiratory aerosols, revealing atomic-level insights into airborne transmission.

bioRxiv · Nov 12, 2021Biophysics

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