| Heterogeneous dielectric implicit membrane model for the calculation of MMPBSA binding free energies DA Greene, R Qi, R Nguyen, T Qiu, R Luo Journal of chemical information and modeling 59 (6), 3041-3056, 2019 | 33 | 2019 |
| Molecular basis for polyketide ketoreductase–substrate interactions S Zhao, F Ni, T Qiu, JT Wolff, SC Tsai, R Luo International journal of molecular sciences 21 (20), 7562, 2020 | 17 | 2020 |
| Improved Poisson–Boltzmann methods for high-performance computing H Wei, A Luo, T Qiu, R Luo, R Qi Journal of chemical theory and computation 15 (11), 6190-6202, 2019 | 12 | 2019 |
| Valproate-coenzyme A conjugate blocks opening of receptor binding domains in the spike trimer of SARS-CoV-2 through an allosteric mechanism F Maschietto, T Qiu, J Wang, Y Shi, B Allen, GP Lisi, E Lolis, VS Batista Computational and Structural Biotechnology Journal 21, 1066-1076, 2023 | 4 | 2023 |
| Substrate-independent activation pathways of the CRISPR-Cas9 HNH nuclease J Wang, F Maschietto, T Qiu, PR Arantes, E Skeens, G Palermo, GP Lisi, ... Biophysical Journal 122 (24), 4635-4644, 2023 | | 2023 |
| Computational analysis of the dimer interface of p53 bound to DNA T Qiu ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
