Shuhan Liu

发表

New application of in silico methods in identifying mechanisms of action and key components of anti-cancer herbal formulation YIV-906 (PHY906).

Junmei Wang, Junjun Liu, Shuhan Liu, 2019, Physical chemistry chemical physics : PCCP.

Prediction of Drug–Drug Interactions Between Opioids and Overdosed Benzodiazepines Using Physiologically Based Pharmacokinetic (PBPK) Modeling and Simulation

Junmei Wang, X. Xie, Shuhan Liu, 2019, Drugs in R&D.

PBPK Models of Two CNS Stimulants, Amphetamine and Methylphenidate, for Clinical Dosing Regimen Optimizations

Shuhan Liu, B. Ji, Yuzhao Zhang, 2020 .

Physiologically-Based Pharmacokinetics Modeling for Hydroxychloroquine as a Treatment for Malaria and Optimized Dosing Regimens for Different Populations

Junmei Wang, Shuhan Liu, B. Ji, 2022, Journal of personalized medicine.

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 Infection

Shuhan Liu, Jian Shi, Jiapeng Li, 2021, Pharmaceutics.

Tissue-Specific Proteomics Analysis of Anti-COVID-19 Nucleoside and Nucleotide Prodrug-Activating Enzymes Provides Insights into the Optimization of Prodrug Design and Pharmacotherapy Strategy

Xinwen Wang, Shuhan Liu, Jian Shi, 2021, ACS pharmacology & translational science.

Introducing Virtual Oligomerization Inhibition to Identify Potent Inhibitors of Aβ Oligomerization.

Junmei Wang, X. Xie, Shuhan Liu, 2020, Journal of chemical theory and computation.

Drug-Drug Interaction Between Oxycodone and Diazepam by a Combined in Silico Pharmacokinetic and Pharmacodynamic Modeling Approach.

Junmei Wang, X. Xie, A. Gough, 2021, ACS chemical neuroscience.

Prediction of the binding affinities and selectivity for CB1 and CB2 ligands using homology modeling, molecular docking, molecular dynamics simulations, and MM-PBSA binding free energy calculations.

Junmei Wang, X. Xie, Shuhan Liu, 2020, ACS chemical neuroscience.

In Silico Prediction of Pharmacokinetic Profile for Human Oral Drug Candidates Which Lack Clinical Pharmacokinetic Experiment Data

Junmei Wang, Shuhan Liu, B. Ji, 2022, European Journal of Drug Metabolism and Pharmacokinetics.

A New Approach for In Silico Prediction of Oral Drug Concentration Profiles in Human for Drug Candidates Lack Experimental Pharmacokinetic Data

Junmei Wang, Shuhan Liu, B. Ji, 2021 .

Title Page In Silico Simulation of DUSP-YIV906 Protein-Ligand Interactions and DUSP3- ERK Protein-Peptide Interactions by

Lirong Wang, X. Xie, D. Koes, 2020 .

Fast, Accurate, and Reliable Protocols for Routine Calculations of Protein–Ligand Binding Affinities in Drug Design Projects Using AMBER GPU-TI with ff14SB/GAFF

Junmei Wang, Tai-Sung Lee, Darrin M York, 2020, ACS omega.

Molecular Mechanism and Kinetics of Amyloid-β42 Aggregate Formation: A Simulation Study.

Junmei Wang, X. Xie, Shuhan Liu, 2019, ACS chemical neuroscience.

In silico binding affinity prediction for metabotropic glutamate receptors using both endpoint free energy methods and a machine learning-based scoring function.

Shuhan Liu, Xibing He, B. Ji, 2022, Physical chemistry chemical physics : PCCP.

Incorporating structural similarity into a scoring function to enhance the prediction of binding affinities

Shuhan Liu, Beihong Ji, Xibing He, 2021, Journal of Cheminformatics.