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Macrocycle Conformational Sampling with MacroModel. - K. Shawn Watts; Pranav Dalal; Andrew J. Tebben; Daniel L. Cheney; John C. Shelley (J. Chem. Inf. Model., 2014)

ToxBench: A Binding Affinity Prediction Benchmark with AB-FEP-Calculated Labels for Human Estrogen Receptor Alpha. - Meng Liu 015; Karl Leswing; Simon K. S. Chu; Farhad Ramezanghorbani; Griffin Young; Gabriel Marques; Prerna Das; Anjali Panikar; Esther Jamir; Mohammed Sulaiman Shamsudeen; K. Shawn Watts; Ananya Sen; et al. (CoRR, 2025)