Red-shifted tetra-ortho-halo-azobenzenes for photo-regulated transmembrane anion transport A Kerckhoffs, Z Bo, SE Penty, F Duarte, MJ Langton Organic & Biomolecular Chemistry 19 (41), 9058-9067, 2021 | 33 | 2021 |
Uni-dock: Gpu-accelerated docking enables ultralarge virtual screening Y Yu, C Cai, J Wang, Z Bo, Z Zhu, H Zheng Journal of chemical theory and computation 19 (11), 3336-3345, 2023 | 23 | 2023 |
Uni-GBSA: an open-source and web-based automatic workflow to perform MM/GB (PB) SA calculations for virtual screening M Yang, Z Bo, T Xu, B Xu, D Wang, H Zheng Briefings in Bioinformatics 24 (4), bbad218, 2023 | 4 | 2023 |
A Benchmark for Accurate GPCR Ligand Binding Affinity Prediction with Free Energy Perturbation Y Guo, Y Zhou, Q Bai, Z Bo, K Song, J Chang, Y Zhang, M Yang, Y Deng, ... | 1 | 2023 |
PythiaCHEM: a user-friendly machine learning toolkit for chemistry S Zavitsanou, Z Bo, E Casali, M Langton, F Duarte | | 2024 |
Mobile Molecules: Reactivity Profiling Guides Faster Movement on a Cysteine Track Z Bo, ZH Lim, F Duarte, H Bayley, Y Qing Angewandte Chemie International Edition 62 (21), e202300890, 2023 | | 2023 |