Zhifeng (Francis) Jing

Computational chemist working on free energy methods and machine learning for drug design.

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Selected publications

1. Lambda-ABF-OPES: Faster Convergence with High Accuracy in Alchemical Free Energy Calculations. J. Phys. Chem. Lett. 16, 4626–4634, 2025
2. Computationally driven discovery of SARS-CoV-2 M^pro inhibitors: from design to experimental validation. Chem. Sci. 13, 3674–3687, 2022
3. Advanced Electrostatic Model for Monovalent Ions Based on Ab Initio Energy Decomposition. J. Chem. Inf. Model., 2021
4. Polarizable Force Fields for Biomolecular Simulations: Recent Advances and Applications. Annu. Rev. Biophys. 48, 371–394, 2019
5. AMOEBA Polarizable Atomic Multipole Force Field for Nucleic Acids. J. Chem. Theory Comput. 14, 2084–2108, 2018
6. Tinker-HP: a Massively Parallel Molecular Dynamics Package for Multiscale Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields. Chem. Sci. 9, 956–972, 2018

Full list on Google Scholar