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Journal of Chemical Theory and Computation|April 7, 2026
How Well Can AI and Physics-Based Simulations Predict the Probability a Cryptic Pocket Is Open?Si Zhang, Justin J Miller, Gregory R BowmanBiorxiv : the Preprint Server for Biology|February 6, 2026
AI-Based Methods for Cryptic Pocket Detection Are Fast and Qualitative Compared to Quantitatively Predictive SimulationsSi Zhang, Justin J Miller, Gregory R BowmanBiorxiv : the Preprint Server for Biology|December 9, 2024
The G protein inhibitor YM-254890 is an allosteric glueTony Trent, Justin J Miller, Gregory R BowmanCurrent Opinion in Structural Biology|January 28, 2026
Decrypting cryptic pockets with physics-based simulations and artificial intelligenceSi Zhang, Gregory R BowmanJournal of Molecular Biology|March 15, 2025
The G Protein Inhibitor YM-254890 is an Allosteric GlueTony Trent, Justin J Miller, Kendall J Blumer, et al.Biorxiv : the Preprint Server for Biology|June 4, 2026
AE-PocketMiner Uses Attention to Simultaneously Predict Cryptic Pockets and Their Allosteric CouplingSi Zhang, Prajna Mishra, Devin Kelly, et al.Journal of Chemical Theory and Computation|November 26, 2024
Accounting for Fast vs Slow Exchange in Single Molecule FRET Experiments Reveals Hidden Conformational StatesJustin J Miller, Upasana L Mallimadugula, Maxwell I Zimmerman, et al.Biorxiv : the Preprint Server for Biology|June 19, 2024
Accounting for fast vs slow exchange in single molecule FRET experiments reveals hidden conformational statesJustin J Miller, Upasana L Mallimadugula, Maxwell I Zimmerman, et al.The Journal of Biological Chemistry|August 11, 2022
The nepenthesin insert in the Plasmodium falciparum aspartic protease plasmepsin V is necessary for enzyme functionAlexander J Polino, Justin J Miller, Soumendranath Bhakat, et al.The Journal of Chemical Physics|October 9, 2012
Improved coarse-graining of Markov state models via explicit consideration of statistical uncertaintyGregory R BowmanPageof 92