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#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. Ahn, J. Russo, A. Oliveira, C. Morris, A. Bogetti, A. Trifan, A. Brace, T. Sztain, A. Clyde, H. Ma, S. Chennubhotla, H. Lee, M. Turilli, S. Khalid, T. Tamayo-Mendoza, M. Welborn, A. Christensen, D. Smith, Z. Qiao, S. Sirumalla, M. O'Connor, F. Manby, A. Anandkumar, D. Hardy, J. Phillips, A. Stern, J. Romero, D. Clark, M. Dorrell, T. Maiden, L. Huang, J. McCalpin, C. Woods, A. Gray, M. Williams, B. Barker, H. Rajapaksha, R. Pitts, T. Gibbs, J. Stone, D. Zuckerman, A. Mulholland, T. III, S. Jha, A. Ramanathan, L. Chong, and R. Amaro. Int. J. High Perform. Comput. Appl., 37 (1): 28-44 (2023)

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Adrian P J Schulte

Norbert J J Bock

Heinrich J J Mieschendahl

J J M Ramakers

Ulrich J J Longerich

Other publications of authors with the same name

COVID19 - Computational Chemists Meet the Moment.A. Mulholland, and R. Amaro. J. Chem. Inf. Model., 60 (12): 5724-5726 (2020)Virtual Screening Identifies Novel and Potent Inhibitors of Mycobacterium tuberculosis PknB with Antibacterial Activity.P. Thongdee, C. Hanwarinroj, B. Pakamwong, P. Kamsri, A. Punkvang, J. Leanpolchareanchai, S. Ketrat, P. Saparpakorn, S. Hannongbua, K. Ariyachaokun and 11 other author(s). J. Chem. Inf. Model., 62 (24): 6508-6518 (2022)Biomolecular Simulations in the Time of COVID-19, and After.R. Amaro, and A. Mulholland. Comput. Sci. Eng., 22 (6): 30-36 (2020)Identification of the quinolinedione inhibitor binding site in Cdc25 phosphatase B through docking and molecular dynamics simulations.Y. Ge, M. van der Kamp, M. Malaisree, D. Liu, Y. Liu, and A. Mulholland. J. Comput. Aided Mol. Des., 31 (11): 995-1007 (2017)Electronic structure benchmark calculations of CO2 fixing elementary chemical steps in RuBisCO using the projector-based embedding approach.O. Douglas-Gallardo, I. Shepherd, S. Bennie, K. Ranaghan, A. Mulholland, and E. Vöhringer-Martinez. J. Comput. Chem., 41 (24): 2151-2157 (2020)QM/MM Molecular Modeling Reveals Mechanism Insights into Flavin Peroxide Formation in Bacterial Luciferase.N. Lawan, R. Tinikul, P. Surawatanawong, A. Mulholland, and P. Chaiyen. J. Chem. Inf. Model., 62 (2): 399-411 (2022)Projector-Based Embedding Eliminates Density Functional Dependence for QM/MM Calculations of Reactions in Enzymes and Solution.K. Ranaghan, D. Shchepanovska, S. Bennie, N. Lawan, S. Macrae, J. Zurek, F. Manby, and A. Mulholland. J. Chem. Inf. Model., 59 (5): 2063-2078 (2019)An Efficient Computational Assay for β-Lactam Antibiotic Breakdown by Class A β-Lactamases.V. Hirvonen, K. Hammond, E. Chudyk, M. Limb, J. Spencer, A. Mulholland, and M. van der Kamp. J. Chem. Inf. Model., 59 (8): 3365-3369 (2019)Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography.P. Kamsri, C. Hanwarinroj, N. Phusi, T. Pornprom, K. Chayajarus, A. Punkvang, N. Suttipanta, P. Srimanote, K. Suttisintong, C. Songsiriritthigul and 17 other author(s). J. Chem. Inf. Model., 60 (1): 226-234 (2020)#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. Ahn, J. Russo, A. Oliveira, C. Morris, A. Bogetti and 42 other author(s). Int. J. High Perform. Comput. Appl., 37 (1): 28-44 (2023)

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Disambiguation of "Mulholland, Adrian J."

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#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol.

Please choose a person to relate this publication to

Adrian P J Schulte

Norbert J J Bock

Heinrich J J Mieschendahl

J J M Ramakers

Ulrich J J Longerich

Other publications of authors with the same name

Disambiguation

BibSonomy

Disambiguation of "Mulholland, Adrian J."

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML #COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol.

Please choose a person to relate this publication to

Adrian P J Schulte

Norbert J J Bock

Heinrich J J Mieschendahl

J J M Ramakers

Ulrich J J Longerich

Other publications of authors with the same name

Disambiguation

copy delete add this publication to your clipboard
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URL
DOI
BibTeX
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APA
Chicago
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#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol.