| Supersaturation-Controlled Shape Evolution of α-Fe2O3 Nanocrystals and Their Facet-Dependent Catalytic and Sensing Properties J Ouyang, J Pei, Q Kuang, Z Xie, L Zheng ACS Applied Materials & Interfaces 6 (15), 12505-12514, 2014 | 214 | 2014 |
| Enhancing the activity and tuning the mechanism of formic acid oxidation at tetrahexahedral Pt nanocrystals by Au decoration HX Liu, N Tian, MP Brandon, J Pei, ZC Huangfu, C Zhan, ZY Zhou, ... Physical Chemistry Chemical Physics 14 (47), 16415-16423, 2012 | 43 | 2012 |
| The role of the active site flap in streptavidin/biotin complex formation N Bansal, Z Zheng, LF Song, J Pei, KM Merz Jr Journal of the American Chemical Society 140 (16), 5434-5446, 2018 | 22 | 2018 |
| Random forest refinement of pairwise potentials for protein–ligand decoy detection J Pei, Z Zheng, H Kim, LF Song, S Walworth, MR Merz, KM Merz Jr Journal of Chemical Information and Modeling 59 (7), 3305-3315, 2019 | 16 | 2019 |
| Generation of pairwise potentials using multidimensional data mining Z Zheng, J Pei, N Bansal, H Liu, LF Song, KM Merz Jr Journal of Chemical Theory and Computation 14 (10), 5045-5067, 2018 | 13 | 2018 |
| Random forest refinement of the KECSA2 knowledge-based scoring function for protein decoy detection J Pei, Z Zheng, KM Merz Jr Journal of Chemical Information and Modeling 59 (5), 1919-1929, 2019 | 11 | 2019 |
| Origin of symmetry breaking in the seed-mediated growth of bi-metal nano-heterostructures G Du, J Pei, Z Jiang, Q Chen, Z Cao, Q Kuang, Z Xie, L Zheng Science bulletin 63 (14), 892-899, 2018 | 11 | 2018 |
| Pair Potentials as Machine Learning Features J Pei, LF Song, KM Merz Jr Journal of Chemical Theory and Computation 16 (8), 5385-5400, 2020 | 4 | 2020 |
| FFENCODER-PL: Pair Wise Energy Descriptors for Protein-Ligand Pose Selection J Pei, LF Song, KM Merz Jr Journal of Chemical Theory and Computation 17 (10), 6647-6657, 2021 | 2 | 2021 |
| Refinement of pairwise potentials via logistic regression to score protein‐protein interactions KA Tanemura, J Pei, KM Merz Jr Proteins: Structure, Function, and Bioinformatics 88 (12), 1559-1568, 2020 | 2 | 2020 |
