Protein structure prediction in the era of AI: Challenges and limitations when applying to in silico force spectroscopy. - Priscila S. F. C. Gomes; Diego Enry Barreto Gomes; Rafael C. Bernardi (Frontiers Bioinform., 2022)

Cybershuttle: An End-to-End Cyberinfrastructure Continuum to Accelerate Discovery in Science and Engineering. - Suresh Marru; Marlon E. Pierce; Beth Plale; Sudhakar Pamidighantam; Dimuthu Wannipurage; Marcus Christie; Isuru Ranawaka; Eroma Abeysinghe; Rob Quick; Emad Tajkhorshid; Seid Koric; Jim Basney; et al. (PEARC, 2023)

VMD as a Platform for Interactive Small Molecule Preparation and Visualization in Quantum and Classical Simulations. - Mariano Spivak; John E. Stone; João Ribeiro 003; Jan Saam; Peter L. Freddolino; Rafael C. Bernardi; Emad Tajkhorshid (J. Chem. Inf. Model., 2023)