| Phosphorylation at Ser289 enhances the oligomerization of tau repeat R2 VH Man, X He, F Han, L Cai, L Wang, T Niu, J Zhai, B Ji, J Gao, J Wang Journal of Chemical Information and Modeling 63 (4), 1351-1361, 2023 | 9 | 2023 |
| A multiple-step in silico screening protocol to identify allosteric inhibitors of Spike–hACE2 binding J Zhai, X He, VH Man, Y Sun, B Ji, L Cai, J Wang Physical Chemistry Chemical Physics 24 (7), 4305-4316, 2022 | 8 | 2022 |
| Development and test of highly accurate endpoint free energy methods. 1: Evaluation of ABCG2 charge model on solvation free energy prediction and optimization of atom radii … Y Sun, X He, T Hou, L Cai, VH Man, J Wang Journal of Computational Chemistry 44 (14), 1334-1346, 2023 | 5 | 2023 |
| Emerging Opportunities of Using Large Language Language Models for Translation Between Drug Molecules and Indications D Oniani, J Hilsman, C Zang, J Wang, L Cai, J Zawala, Y Wang arXiv preprint arXiv:2402.09588, 2024 | 2 | 2024 |
| Comparison and summary of in silico prediction tools for CYP450-mediated drug metabolism J Zhai, VH Man, B Ji, L Cai, J Wang Drug Discovery Today, 103728, 2023 | 2 | 2023 |
| Physiologically-Based Pharmacokinetics Modeling for Hydroxychloroquine as a Treatment for Malaria and Optimized Dosing Regimens for Different Populations J Zhai, B Ji, L Cai, S Liu, Y Sun, J Wang Journal of Personalized Medicine 12 (5), 796, 2022 | 1 | 2022 |
| In Silico Prediction of Pharmacokinetic Profile for Human Oral Drug Candidates Which Lack Clinical Pharmacokinetic Experiment Data J Zhai, B Ji, S Liu, Y Zhang, L Cai, J Wang European Journal of Drug Metabolism and Pharmacokinetics 47 (3), 403-417, 2022 | 1 | 2022 |
| Emerging opportunities of using large language models for translation between drug molecules and indications D Oniani, J Hilsman, C Zang, J Wang, L Cai, J Zawala, Y Wang Scientific Reports 14 (1), 10738, 2024 | | 2024 |
| In Silico Screening of Natural Flavonoids against 3-Chymotrypsin-like Protease of SARS-CoV-2 Using Machine Learning and Molecular Modeling L Cai, F Han, B Ji, X He, L Wang, T Niu, J Zhai, J Wang Molecules 28 (24), 8034, 2023 | | 2023 |
| Intranasal Diamorphine Population Pharmacokinetics and Dose Regimen Optimization in Pediatric Breakthrough Pain L Cai University of Pittsburgh, 2023 | | 2023 |
Beihong JiUniversity of PittsburghVerified email at pitt.edu
