刘润铎 工学博士 讲师 硕士生导师 电子邮箱（liurd@hainanu.edu.cn）：

1.教育背景

2015.09-2019.06 暨南大学国际学院 药学（全英）理学学士

2019.09-2022.06 中山大学药学院 药物化学 理学硕士

2022.09-2026.06 中山大学药学院 生物与医药 工学博士

2.教学情况

主讲《计算机辅助药物设计》

3.科研情况

研究方向为基于人工智能与统计物理模型的精准药靶亲和力算法开发。过去五年以（共同）第一作者发表论文10篇，其中SCI论文10篇，担任Journal of medicinal chemistry，Computational and structural biotechnology journal和Industrial crops and products等期刊审稿人。

4.研究领域

主要从事药-靶结合强度快速及精准评价方法的开发。

5.代表性成果

1）Li Z. #, Jiang M. Y. #, Liu R. #, Wang Q., Zhou Q., Huang Y. Y., Wu Y.*, Zhan C. G.*, Luo H. B.*. Discovery of highly potent phosphodiesterase-1 inhibitors by a combined-structure free energy perturbation approach. Acta Pharmaceutica Sinica B, 2024, 14(12): 5357-5369.

2）Liu R., Yao Y., Huang W., Zhong Y., Luo H. B., Li Z.. Divide-and-conquer ABFE: improving free energy calculations by enhancing water sampling. Journal of Chemical Theory and Computation, 2025, 21(7): 3712-3725.

3）Liu R. #, Zhong Y. #, Yao Y. #, Huang W., Li Z., Lu Y., Luo H. B., Li Z.. ALCHEMD: bridging accessibility and accuracy in automated relative binding free energy workflows. Journal of Chemical Theory and Computation, 2026, 22(1): 751-762.

4）Yao Y. #, Liu R. #, Li W., Huang W., Lai Y., Luo H. B., Li Z.. Convergence-adaptive roundtrip method enables rapid and accurate FEP calculations. Journal of Chemical Theory and Computation, 2024, 20(18): 8354-8366.

5）Liu R., Lai Y., Yao Y., Huang W., Zhong Y., Luo H. B., Li Z.. State function-based correction: a simple and efficient free-energy correction algorithm for large-scale relative binding free-energy calculations. Journal of Physical Chemistry Letters, 2025, 16: 5763-5768.

6）Liu R., Li W., Yao Y., Wu Y., Luo H., Li Z.. Accelerating and Automating the Free Energy Perturbation Absolute Binding Free Energy Calculation with the RED-E Function. Journal of Chemical Information and Modeling, 2023, 63(24): 7755-7767.

7）Huang W. #, Liu R. #, Yao Y., Lai Y., Luo H. B., Li Z.. RED-E-function-based equilibrium parameter finder: finding the best restraint parameters in absolute binding free energy calculations. Journal of Physical Chemistry Letters, 2025, 16(1): 253-260.

6.荣誉奖励

1）2021年工作“基于自由能微扰的抗新冠药物大规模虚拟筛选”入围超级计算应用领域最高奖项“戈登贝尔新冠特别奖”