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Publications by Qiantao Wang
Using Docking and Alchemical Free Energy Approach to Determine the Binding Mechanism of eEF2K Inhibitors and Prioritizing the Compound Synthesis
Frontiers in Molecular Biosciences
Biochemistry
Genetics
Molecular Biology
An Optimized Charge Penetration Model for Use With the AMOEBA Force Field
Physical Chemistry Chemical Physics
Theoretical Chemistry
Astronomy
Physics
Physical
Related publications
Investigations on Binding Pattern of Kinase Inhibitors With PPARγ: Molecular Docking, Molecular Dynamic Simulations, and Free Energy Calculation Studies
PPAR Research
Drug Discovery
Pharmacology
Uncertainty Quantification in Alchemical Free Energy Methods
Linear-Scaling Soft Core Scheme for Alchemical Free Energy Calculations
Biophysical Journal
Biophysics
Molecular Mechanism of Resistance to Kinase Inhibitors Clarified by a Binding Free Energy Computation Method and Its Improvement by Incorporating Protein Flexibility
Biophysical Journal
Biophysics
Estimating Atomic Contributions to Hydration and Binding Using Free Energy Perturbation
Design, Synthesis, Binding, Crystallography, and Docking of [(2-Pyrimidinylthio)Acetyl]Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases
Biophysical Journal
Biophysics
The Binding of Free and Copper-Complexed Fluoroquinolones to OmpF Porins: An Experimental and Molecular Docking Study
RSC Advances
Chemistry
Chemical Engineering
Using Polarimetry to Determine the CEBAF Beam Energy
Can Relative Binding Free Energy Predict Selectivity of Reversible Covalent Inhibitors?
Journal of the American Chemical Society
Biochemistry
Colloid
Catalysis
Chemistry
Surface Chemistry
