A community-powered search of machine learning strategy space to find NMR property prediction models. - Lars A. Bratholm; Will Gerrard; Brandon M. Anderson; Shaojie Bai; Sunghwan Choi; Lam Dang; Pavel Hanchar; Addison Howard; Guillaume Huard; Sanghoon Kim; J. Zico Kolter; Risi Kondor; et al. (CoRR, 2020)

Quantum Mechanics/Molecular Mechanics Simulations Distinguish Insulin-Regulated Aminopeptidase Substrate (Oxytocin) and Inhibitor (Angiotensin IV) and Reveal Determinants of Activity and Inhibition. - Marko Hanzevacki; Rebecca M. Twidale; Eric J. M. Lang; Will Gerrard; David W. Wright 001; Vid Stojevic; Adrian J. Mulholland (J. Chem. Inf. Model., 2025)