Multipole electrostatics in hydration free energy calculations. - Yue Shi; Chuanjie Wu; Jay W. Ponder; Pengyu Y. Ren (J. Comput. Chem., 2011)

Schrödinger-ANI: An Eight-Element Neural Network Interaction Potential with Greatly Expanded Coverage of Druglike Chemical Space. - James M. Stevenson; Leif D. Jacobson; Yutong Zhao; Chuanjie Wu; Jon Maple; Karl Leswing; Edward Harder; Robert Abel (CoRR, 2019)

Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding Kinetics. - Haoyu S. Yu; Cen Gao; Dmitry Lupyan; Yujie Wu; Takayuki Kimura; Chuanjie Wu; Leif D. Jacobson; Edward Harder; Robert Abel; Lingle Wang (J. Chem. Inf. Model., 2019)

The blood heat exchanger in intra-arterial selective cooling infusion for acute ischemic stroke: A computational fluid-thermodynamics performance, experimental assessment and evaluation on the brain temperature. - Miaowen Jiang; Yuan Gao; Chuanjie Wu; Longfei Wu; Shoucheng Tang; Zhichen Yin; Ang Li; Kun Wang; Shiqiang Zheng; Hangil Lee; Yuchuan Ding; Ming Li; et al. (Comput. Biol. Medicine, 2022)

Hemolysis performance analysis and a novel estimation model of roller pump system. - Yuan Gao; Ming Li; Miaowen Jiang; Yang Zhang; Chuanjie Wu; Xunming Ji (Comput. Biol. Medicine, 2023)

Performance and Analysis of the Alchemical Transfer Method for Binding-Free-Energy Predictions of Diverse Ligands. - Lieyang Chen; Yujie Wu; Chuanjie Wu; Ana Silveira; Woody Sherman; Huafeng Xu; Emilio Gallicchio (J. Chem. Inf. Model., 2024)

Accurate Physics-Based Prediction of Binding Affinities of RNA- and DNA-Targeting Ligands. - Ara M. Abramyan; Anna Bochicchio; Chuanjie Wu; Wolfgang Damm; David R. Langley; Devleena Shivakumar; Dmitry Lupyan; Lingle Wang; Edward Harder; Eliud O. Oloo (J. Chem. Inf. Model., 2025)

When to use Graphs in RAG: A Comprehensive Analysis for Graph Retrieval-Augmented Generation. - Zhishang Xiang; Chuanjie Wu; Qinggang Zhang; Shengyuan Chen; Zijin Hong; Xiao Huang 001; Jinsong Su (CoRR, 2025)