| WESTPA 2.0: High-performance upgrades for weighted ensemble simulations and analysis of longer-timescale applications JD Russo, S Zhang, JMG Leung, AT Bogetti, JP Thompson, AJ DeGrave, ... Journal of Chemical Theory and Computation 18 (2), 638-649, 2022 | 34 | 2022 |
| A twist in the road less traveled: The AMBER ff15ipq-m force field for protein mimetics AT Bogetti, HE Piston, JMG Leung, CC Cabalteja, DT Yang, AJ DeGrave, ... The Journal of chemical physics 153 (6), 2020 | 19 | 2020 |
| A Suite of Advanced Tutorials for the WESTPA 2.0 Rare-Events Sampling Software [Article v0. 1] AT Bogetti, JMG Leung, JD Russo, S Zhang, JP Thompson, AS Saglam, ... bioRxiv, 2022.10. 04.510803, 2022 | 7 | 2022 |
| Lpath: A semiautomated python tool for clustering molecular pathways AT Bogetti, JMG Leung, LT Chong Journal of Chemical Information and Modeling 63 (24), 7610-7616, 2023 | 2 | 2023 |
| A Suite of Tutorials for the WESTPA 2.0 Rare-Events Sampling Software [Article v2. 0] AT Bogetti, JMG Leung, JD Russo, S Zhang, JP Thompson, AS Saglam, ... Living journal of computational molecular science 5 (1), 2023 | 1 | 2023 |
| Implications of the unfolded state in the folding energetics of heterogeneous-backbone protein mimetics JR Santhouse, JMG Leung, LT Chong, WS Horne Chemical Science 13 (40), 11798-11806, 2022 | 1 | 2022 |
| An improved scheme for merging trajectories in weighted ensemble simulations RC Abraham, JMG Leung, A Bogetti, DM Zuckerman, LT Chong Biophysical Journal 123 (3), 280a, 2024 | | 2024 |
| LPATH: A semi-automated Python tool for clustering molecular pathways JMG Leung, A Bogetti, LT Chong Biophysical Journal 123 (3), 427a, 2024 | | 2024 |
| Effects of altered backbone composition on the folding kinetics and mechanism of an ultrafast-folding protein JR Santhouse, JMG Leung, LT Chong, WS Horne Chemical Science 15 (2), 675-682, 2024 | | 2024 |
| Computational Mechanical Studies of E. coli Type-1 Pili Adhesion with Homogeneous Surfaces JMG Leung, EM Spain Biophysical Journal 116 (3), 511a, 2019 | | 2019 |
Lillian T. ChongProfessor of Chemistry, University of PittsburghDirección de correo verificada de pitt.edu
