Lina Dong

Reliable Prediction of the Protein-Ligand Binding Affinity Using a Charge Penetration Corrected AMOEBA Force Field: A Case Study of Drug Resistance Mutations in Abl Kinase.

Yubing Si, Peifeng Su, Binju Wang, 2022, Journal of chemical theory and computation.

XLPFE: A Simple and Effective Machine Learning Scoring Function for Protein–Ligand Scoring and Ranking

Binju Wang, Xiaoyang Qu, Lina Dong, 2022, ACS omega.

Systematic Improvement of the Performance of Machine Learning Scoring Functions by Incorporating Features of Protein-Bound Water Molecules

Yubing Si, Binju Wang, Xiaoyang Qu, 2022, J. Chem. Inf. Model..

Prediction of Binding Free Energy of Protein–Ligand Complexes with a Hybrid Molecular Mechanics/Generalized Born Surface Area and Machine Learning Method

Binju Wang, Xiaoyang Qu, Yuan Zhao, 2021, ACS omega.

Water Network-Augmented Two-State Model for Protein-Ligand Binding Affinity Prediction

Yubing Si, Binju Wang, Xiaoyang Qu, 2023, J. Chem. Inf. Model..

Enhancing Generalizability in Protein-Ligand Binding Affinity Prediction with Multimodal Contrastive Learning

Xiaoyang Qu, Lina Dong, Ding Luo, 2024, J. Chem. Inf. Model..