High Performance Computing for Drug Discovery and Biomedicine von Heifetz, Alexander

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Quantum Mechanics in Drug Discovery von Heifetz, Alexander

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Multi-Task Learning of Scanning Electron Microscopy and Synthetic Thermal Tomography Images for Detection of Defects in Additively Manufactured Metals von Scott, Sarah, Chen, Wei-Ying, Heifetz, Alexander

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Unsupervised learning-enabled pulsed infrared thermographic microscopy of subsurface defects in stainless steel von Zhang, Xin, Fang, Tianyang, Saniie, Jafar, Bakhtiari, Sasan, Heifetz, Alexander

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Anomaly Detection in Liquid Sodium Cold Trap Operation with Multisensory Data Fusion Using Long Short-Term Memory Autoencoder von Akins, Alexandra, Kultgen, Derek, Heifetz, Alexander

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Computational Methods for GPCR Drug Discovery von Heifetz, Alexander

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The Future of Drug Development with Quantum Computing von Bonde, Bhushan, Patil, Pratik, Choubey, Bhaskar

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Fighting COVID-19 with Artificial Intelligence von Monteleone, Stefania, Kellici, Tahsin F., Southey, Michelle, Bodkin, Michael J., Heifetz, Alexander

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Rapid and accurate assessment of GPCR–ligand interactions Using the fragment molecular orbital‐based density‐functional tight‐binding method von Morao, Inaki, Fedorov, Dmitri G., Robinson, Roger, Southey, Michelle, Townsend‐Nicholson, Andrea, Bodkin, Mike J., Heifetz, Alexander

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Binding Free Energy Calculation Using Quantum Mechanics Aimed for Drug Lead Optimization von Cavasotto, Claudio N.

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Deep Learning and Computational Chemistry von James, Tim, Hristozov, Dimitar

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Network-Driven Drug Discovery von Wray, Jonny, Whitmore, Alan

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Molecular Docking Using Quantum Mechanical-Based Methods von Aucar, M. Gabriela, Cavasotto, Claudio N.

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Software-Defined Ultrasonic Communication System With OFDM for Secure Video Monitoring von Huang, Xin, Saniie, Jafar, Arnold, David, Fang, Tianyang, Heifetz, Alexander, Bakhtiari, Sasan

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Conformational Searching with Quantum Mechanics von Habgood, Matthew, James, Tim, Heifetz, Alexander

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Design and SAR Analysis of Covalent Inhibitors Driven by Hybrid QM/MM Simulations von Lodola, Alessio, Callegari, Donatella, Scalvini, Laura, Rivara, Silvia, Mor, Marco

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Discovery of the First Selective, Nonpeptidic Orexin 2 Receptor Agonists von Heifetz, Alexander, Bodkin, Mike J, Biggin, Philip C

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Current and Future Challenges in Modern Drug Discovery von Tautermann, Christofer S.

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Underappreciated Chemical Interactions in Protein–Ligand Complexes von Anighoro, Andrew

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User-Friendly Quantum Mechanics: Applications for Drug Discovery von Kotev, Martin, Sarrat, Laurie, Gonzalez, Constantino Diaz

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