Machine Learning for Electrocatalyst and Photocatalyst Design and Discovery von Mai, Haoxin, Le, Tu C., Chen, Dehong, Winkler, David A., Caruso, Rachel A.

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Understanding the Roles of the “Two QSARs” von Fujita, Toshio, Winkler, David A

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Discovery and Optimization of Materials Using Evolutionary Approaches von Le, Tu C, Winkler, David A

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In silico comparison of SARS-CoV-2 spike protein-ACE2 binding affinities across species and implications for virus origin von Piplani, Sakshi, Singh, Puneet Kumar, Winkler, David A., Petrovsky, Nikolai

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QSAR without borders von Muratov, Eugene N, Bajorath, Jürgen, Sheridan, Robert P, Tetko, Igor V, Filimonov, Dmitry, Poroikov, Vladimir, Oprea, Tudor I, Baskin, Igor I, Varnek, Alexandre, Roitberg, Adrian, Isayev, Olexandr, Curtalolo, Stefano, Fourches, Denis, Cohen, Yoram, Aspuru-Guzik, Alan, Winkler, David A, Agrafiotis, Dimitris, Cherkasov, Artem, Tropsha, Alexander

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Use of Artificial Intelligence and Machine Learning for Discovery of Drugs for Neglected Tropical Diseases von Winkler, David A

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Computational Modeling and Simulation of CO2 Capture by Aqueous Amines von Yang, Xin, Rees, Robert J, Conway, William, Puxty, Graeme, Yang, Qi, Winkler, David A

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Converting Nanotoxicity Data to Information Using Artificial Intelligence and Simulation von Yan, Xiliang, Yue, Tongtao, Winkler, David A., Yin, Yongguang, Zhu, Hao, Jiang, Guibin, Yan, Bing

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Quantitative Structure–Property Relationship Modeling of Diverse Materials Properties von Le, Tu, Epa, V. Chandana, Burden, Frank R, Winkler, David A

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Predicting the Performance of Organic Corrosion Inhibitors von Winkler, David

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A bright future for engineering piezoelectric 2D crystals von Sherrell, Peter C, Fronzi, Marco, Shepelin, Nick A, Corletto, Alexander, Winkler, David A, Ford, Mike, Shapter, Joseph G, Ellis, Amanda V

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Identifying SARS-CoV-2 Drugs Binding to the Spike Fatty Acid Binding Pocket Using In Silico Docking and Molecular Dynamics von Piplani, Sakshi, Singh, Puneet, Petrovsky, Nikolai, Winkler, David A

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Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage von Thornton, Aaron W, Simon, Cory M, Kim, Jihan, Kwon, Ohmin, Deeg, Kathryn S, Konstas, Kristina, Pas, Steven J, Hill, Matthew R, Winkler, David A, Haranczyk, Maciej, Smit, Berend

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Quantitative design rules for protein-resistant surface coatings using machine learning von Le, Tu C., Penna, Matthew, Winkler, David A., Yarovsky, Irene

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Role of Artificial Intelligence and Machine Learning in Nanosafety von Winkler, David A.

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Self-Organizing Map and Relational Perspective Mapping for the Accurate Visualization of High-Dimensional Hyperspectral Data von Gardner, Wil, Maliki, Ruqaya, Cutts, Suzanne M, Muir, Benjamin W, Ballabio, Davide, Winkler, David A, Pigram, Paul J

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Ultrafast Fabrication of Covalently Cross-linked Multifunctional Graphene Oxide Monoliths von Wan, Wubo, Li, Lingli, Zhao, Zongbin, Hu, Han, Hao, Xiaojuan, Winkler, David A., Xi, Lingcong, Hughes, Timothy C., Qiu, Jieshan

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Immune Modulation by Design: Using Topography to Control Human Monocyte Attachment and Macrophage Differentiation von Vassey, Matthew J., Figueredo, Grazziela P., Scurr, David J., Vasilevich, Aliaksei S., Vermeulen, Steven, Carlier, Aurélie, Luckett, Jeni, Beijer, Nick R. M., Williams, Paul, Winkler, David A., de Boer, Jan, Ghaemmaghami, Amir M., Alexander, Morgan R.

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Author Correction: In silico comparison of SARS-CoV-2 spike protein-ACE2 binding affinities across species and implications for virus origin von Piplani, Sakshi, Singh, Puneet Kumar, Winkler, David A., Petrovsky, Nikolai

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Biomimetic molecular design tools that learn, evolve, and adapt von Winkler, David A

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