Yujie Wu
Beijing University of Chinese Medicine(CN)
Publications by Year
Research Areas
Protein Structure and Dynamics, Ubiquitin and proteasome pathways, Spectroscopy and Quantum Chemical Studies, Computational Drug Discovery Methods, Chemical Synthesis and Analysis
Most-Cited Works
- → Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field(2010)1,877 cited
- → Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field(2015)1,348 cited
- → Flexible simple point-charge water model with improved liquid-state properties(2006)1,268 cited
- → Proton Solvation and Transport in Aqueous and Biomolecular Systems: Insights from Computer Simulations(2007)308 cited
- → An Improved Multistate Empirical Valence Bond Model for Aqueous Proton Solvation and Transport(2007)240 cited
- → Modeling Local Structural Rearrangements Using FEP/REST: Application to Relative Binding Affinity Predictions of CDK2 Inhibitors(2013)219 cited
- → Lead optimization mapper: automating free energy calculations for lead optimization(2013)150 cited
- → Accurate Modeling of Scaffold Hopping Transformations in Drug Discovery(2016)140 cited
- → Accurate Calculation of Relative Binding Free Energies between Ligands with Different Net Charges(2018)122 cited
- → Proton Transport Behavior through the Influenza A M2 Channel: Insights from Molecular Simulation(2007)112 cited