Author

M. Turilli

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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Biophysics· 4

Signature Assays, Organisms & Methods

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Approach:deep learning· 4 Organism:virus· 3 Assay:structural biology· 2 Assay:cryo-EM· 1 Research Focus:drug response / drug discovery· 1 Research Focus:host-pathogen & immune response· 1 Assay:imaging· 1 Approach:mechanistic / dynamical model· 1

Frequent Co-Authors

H. Lee· 4 shared A. Brace· 3 shared A. Trifan· 3 shared H. Ma· 3 shared S. Jha· 3 shared A. Bogetti· 2 shared A. Clyde· 2 shared A. Ramanathan· 2 shared

Activity by Year

2020-2021 · peak 3/yr

Co-Author Collaboration Network

10 top collaborators · 45 mutual co-author links

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4 shared papersBiophysics

H. Lee

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Author profile →

4 papers

Recent·Most cited

Adaptive Ensemble Refinement of Protein Structures in High Resolution Electron Microscopy Density Maps with Radical Augmented Molecular Dynamics Flexible Fitting

D. Sarkar, H. Lee, J. W. Vant, M. Turilli, J. V. Vermaas, S. Jha, A. Singharoy

This paper introduces an adaptive ensemble refinement method for protein structures using MDFF and RADICAL-Cybertools, improving correlation with cryo-EM density maps by 40%.

bioRxiv · Dec 7, 2021 · 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

High Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Non-Covalent Inhibitor

A. Clyde, S. Galanie, D. W. Kneller, H. Ma, Y. Babuji, B. Blaiszik, A. Brace, T. Brettin, K. Chard, R. Chard, L. Coates, I. Foster, D. Hauner, V. Kertesz, N. Kumar, , R. Stevens

This paper identifies a novel non-covalent inhibitor of SARS-CoV-2 main protease through high throughput virtual screening, validated by biochemical assays, X-ray crystallography, and molecular dynamics simulations.

bioRxiv · Mar 27, 2021 · PreprintBiophysics

AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics

L. Casalino, A. C. Dommer, Z. Gaieb, E. P. Barros, T. Sztain, S.-H. Ahn, A. Trifan, A. Brace, H. Ma, H. Lee, M. Turilli, A. Bogetti, S. Khalid, L. Chong, C. Simmerling, , R. E. Amaro

This paper develops an AI-driven workflow to simulate SARS-CoV-2 spike protein dynamics, revealing glycan shield structure, spike glycans' role in infectivity, and spike-ACE2 interactions.

bioRxiv · Nov 19, 2020Biophysics