How water molecules modulate the hydration of CO2 in water solution: Insight from the cluster-continuum model calculations. - Binju Wang; Zexing Cao (J. Comput. Chem., 2013)

Systematic Improvement of the Performance of Machine Learning Scoring Functions by Incorporating Features of Protein-Bound Water Molecules. - Xiaoyang Qu; Lina Dong; Jinyan Zhang; Yubing Si; Binju Wang (J. Chem. Inf. Model., 2022)

Visible Light Positioning System Based on Quantum Well Diode. - Binju Wang; Kang Fu; Yongjin Wang (ICCT, 2023)

Conformational Switch of the 250s Loop Enables the Efficient Transglycosylation in GH Family 77. - Zhiyong Guo; Lei Wang; Deming Rao; Weiqiong Liu; Miaomiao Xue; Qisheng Fu; Mengwei Lu; Lingqia Su; Sheng Chen; Binju Wang; Jing Wu 030 (J. Chem. Inf. Model., 2023)

A Smart Strategy for Photoresponsive Molecules: Utilizing Generative Pre-trained Transformer and TDDFT Calculations in Drug Delivery. - Junjie Hu; Peng Wu; Qi Li; Shiyi Wang; Xianglu Xiao; Zhangming Niu; Binju Wang; Guang Yang 006 (EMBC, 2024)

Enhancing Generalizability in Protein-Ligand Binding Affinity Prediction with Multimodal Contrastive Learning. - Ding Luo; Dandan Liu; Xiaoyang Qu; Lina Dong; Binju Wang (J. Chem. Inf. Model., 2024)

Water Network-Augmented Two-State Model for Protein-Ligand Binding Affinity Prediction. - Xiaoyang Qu; Lina Dong; Ding Luo; Yubing Si; Binju Wang (J. Chem. Inf. Model., 2024)

Enhancing MM/P(G)BSA Methods: Integration of Formulaic Entropy for Improved Binding Free Energy Calculations. - Lina Dong; Pengfei Li 003; Binju Wang (J. Comput. Chem., 2025)