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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, и R. Amaro. Int. J. High Perform. Comput. Appl., 37 (1): 28-44 (2023)

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Daniel M Böhi

Daniel M Blab

Daniel M Staub

Daniel M Frey

Daniel M Pircher

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Efficient and verified simulation of a path ensemble for conformational change in a united-residue model of calmodulinB. Zhang, D. Jasnow, и D. Zuckerman. Proceedings of the National Academy of Sciences, 104 (46): 18043-18048 (2007)Path-sampling strategies for simulating rare events in biomolecular systemsL. Chong, A. Saglam, и D. Zuckerman. Current Opinion in Structural Biology, (2017)#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 и 42 other автор(ы). Int. J. High Perform. Comput. Appl., 37 (1): 28-44 (2023)Simulations of the alternating access mechanism of the sodium symporter Mhp1J. Adelman, A. Dale, M. Zwier, D. Bhatt, L. Chong, D. Zuckerman, и M. Grabe. Biophysical journal, 101 (10): 2399--2407 (2011)Weighted ensemble: Recent mathematical developments.D. Aristoff, J. Copperman, G. Simpson, R. Webber, и D. Zuckerman. CoRR, (2022)Heterogeneous Path Ensembles for Conformational Transitions in Semiatomistic Models of Adenylate KinaseD. Bhatt, и D. Zuckerman. Journal of Chemical Theory and Computation, 6 (11): 3527-3539 (2010)A proposal for regularly updated review/survey articles: "Perpetual Reviews".D. Mobley, и D. Zuckerman. CoRR, (2015)WESTPA: An Interoperable, Highly Scalable Software Package for Weighted Ensemble Simulation and AnalysisM. Zwier, J. Adelman, J. Kaus, A. Pratt, K. Wong, N. Rego, E. Suárez, S. Lettieri, D. Wang, M. Grabe и 2 other автор(ы). Journal of Chemical Theory and Computation, 11 (2): 800-809 (2015)Unbiased Rare Event Sampling in Spatial Stochastic Systems Biology Models Using a Weighted Ensemble of Trajectories.R. Donovan, J. Tapia, D. Sullivan, J. Faeder, R. Murphy, M. Dittrich, и D. Zuckerman. PLoS Comput. Biol., (2016)A systems-biology approach to molecular machines: Exploration of alternative transporter mechanisms.A. George, P. Bisignano, J. Rosenberg, M. Grabe, и D. Zuckerman. PLoS Comput. Biol., (2020)

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