| Fast, accurate, and reliable protocols for routine calculations of protein–ligand binding affinities in drug design projects using AMBER GPU-TI with ff14SB/GAFF X He, S Liu, TS Lee, B Ji, VH Man, DM York, J Wang ACS omega 5 (9), 4611-4619, 2020 | 115 | 2020 |
| Prediction of the binding affinities and selectivity for CB1 and CB2 ligands using homology modeling, molecular docking, molecular dynamics simulations, and MM-PBSA binding … B Ji, S Liu, X He, VH Man, XQ Xie, J Wang ACS Chemical Neuroscience 11 (8), 1139-1158, 2020 | 48 | 2020 |
| Prediction of drug–drug interactions between opioids and overdosed benzodiazepines using physiologically based pharmacokinetic (PBPK) modeling and simulation B Ji, S Liu, Y Xue, X He, VH Man, XQ Xie, J Wang Drugs in R&D 19, 297-305, 2019 | 26 | 2019 |
| Molecular Mechanism and Kinetics of Amyloid-β42 Aggregate Formation: A Simulation Study VH Man, X He, B Ji, S Liu, XQ Xie, J Wang ACS chemical neuroscience 10 (11), 4643-4658, 2019 | 21 | 2019 |
| Activation of tenofovir alafenamide and sofosbuvir in the human lung and its implications in the development of nucleoside/nucleotide prodrugs for treating SARS-CoV-2 pulmonary … J Li, S Liu, J Shi, HJ Zhu Pharmaceutics 13 (10), 1656, 2021 | 18 | 2021 |
| Tissue-specific proteomics analysis of anti-COVID-19 nucleoside and nucleotide prodrug-activating enzymes provides insights into the optimization of prodrug design and … J Li, S Liu, J Shi, X Wang, Y Xue, HJ Zhu ACS Pharmacology & Translational Science 4 (2), 870-887, 2021 | 11 | 2021 |
| Introducing Virtual Oligomerization Inhibition to Identify Potent Inhibitors of Aβ Oligomerization JW Viet Hoang Man, Xibing He, Beihong Ji, Shuhan Liu, Xiang-Qun Xie Journal of Chemical Theory and Computation 16 (6), 3920–3935, 2020 | 10 | 2020 |
| New application of in silico methods in identifying mechanisms of action and key components of anti-cancer herbal formulation YIV-906 (PHY906) S Liu, X He, VH Man, B Ji, J Liu, J Wang Physical Chemistry Chemical Physics 21 (42), 23501-23513, 2019 | 9 | 2019 |
| Drug–Drug Interaction Between Oxycodone and Diazepam by a Combined in Silico Pharmacokinetic and Pharmacodynamic Modeling Approach B Ji, Y Xue, Y Xu, S Liu, AH Gough, XQ Xie, J Wang ACS chemical neuroscience 12 (10), 1777-1790, 2021 | 7 | 2021 |
| 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 | 4 | 2022 |
| Medication Use Among US Adults After Bariatric Surgery: A Population-Based Analysis of NHANES 2015–2018 S Liu, MP Pai, CA Lester Diabetes Care 45 (3), e54-e55, 2022 | 3 | 2022 |
| In silico binding affinity prediction for metabotropic glutamate receptors using both endpoint free energy methods and a machine learning-based scoring function J Zhai, X He, Y Sun, Z Wan, B Ji, S Liu, S Li, J Wang Physical Chemistry Chemical Physics 24 (30), 18291-18305, 2022 | 3 | 2022 |
| Incorporating structural similarity into a scoring function to enhance the prediction of binding affinities B Ji, X He, Y Zhang, J Zhai, VH Man, S Liu, J Wang Journal of Cheminformatics 13, 1-13, 2021 | 3 | 2021 |
| Morphomics‐informed population pharmacokinetic and physiologically‐based pharmacokinetic modeling to optimize cefazolin surgical prophylaxis S Liu, A Matvekas, T Naimi, A Ghanem, R Li, K Rajanayake, B Derstine, ... Pharmacotherapy: The Journal of Human Pharmacology and Drug Therapy 44 (1 …, 2024 | 2 | 2024 |
| Optimizing anidulafungin exposure across a wide adult body size range RG Hall 2nd, S Liu, WC Putnam, R Kallem, T Gumbo, MP Pai Antimicrobial Agents and Chemotherapy 67 (11), e00820-23, 2023 | 2 | 2023 |
| Tissue‐and cell‐expression of druggable host proteins provide insights into repurposing drugs for COVID‐19 J Li, Y Xue, X Wang, LS Smith, B He, S Liu, HJ Zhu Clinical and Translational Science 15 (12), 2796-2811, 2022 | 2 | 2022 |
| Revolutionizing Daptomycin Dosing: A Single 7–11-Hour Sample for Pragmatic Application J Angelini, S Liu (co-first), S Giuliano, S Flammini, L Martini, C Tascini, ... Clinical Infectious Diseases, ciae178, 2024 | 1 | 2024 |
| 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 |
| Sa1209 GASTROINTESTINAL INTUBATION USING A MULTI-PORT ASPIRATION CATHETER TO STUDY DRUG RELEASE OF EXTENDED-RELEASE GLIPIZIDE DRUG PRODUCTS IN THE GASTROINTESTINAL TRACT OF … M Abdelnabi, L Watts, P Singh, R Li, A Lkhagva, S Duan, S Liu, B Wen, ... Gastroenterology 166 (5), S-385-S-386, 2024 | | 2024 |
| Modeling M-protein dynamics in subjects with relapsed/refractory multiple myeloma receiving venetoclax: utility of early M-protein monitoring to predict progression free survival S Liu, S Ahmed, R Jeremy, B Orlando, M Badawi Clin Pharmacol Ther 115 (S1), S67, 2024 | | 2024 |
Junmei WangProfessor of computational chemistry/biology, School of Pharmacy, University of Pittsburgh在 pitt.edu 的电子邮件经过验证
