Renxiao Wang

42 papers Journal 42
YearRankTypeTitle / Venue / Authors
2026 J jnl
PLANET v2.0: A comprehensive Protein-Ligand Affinity Prediction Model Based on Mixture Density Network.
CoRR
Haotian Gao, Xiangying Zhang, Jingyuan Li, Xinchong Chen, Haojie Wang, Yifei Qi, Renxiao Wang
2025 J jnl
Computational Methods for Predicting Chemical Reactivity of Covalent Compounds.
J. Chem. Inf. Model.
Zhe Zhang, Ruyu Gao, Meiling Zhao, Xiangying Zhang, Haotian Gao, Yifei Qi, Renxiao Wang, Yan Li
2025 J jnl
PPAP: A Protein-protein Affinity Predictor Incorporating Interfacial Contact-Aware Attention.
J. Chem. Inf. Model.
Jie Qian, Lin Yang, Zhen Duan, Renxiao Wang, Yifei Qi
2025 J jnl
ThermoSeek: An Integrated Web Resource for Sequence and Structural Analysis of Proteins from Thermophilic Species.
J. Chem. Inf. Model.
Zhihang Chen, Haojie Wang, Renxiao Wang, Yifei Qi
2024 J jnl
COMET:Combined Matrix for Elucidating Targets.
CoRR
Haojie Wang, Zhe Zhang, Haotian Gao, Xiangying Zhang, Jingyuan Li, Zhihang Chen, Xinchong Chen, Yifei Qi, Yan Li, Renxiao Wang
2024 J jnl
PLANET: A Multi-objective Graph Neural Network Model for Protein-Ligand Binding Affinity Prediction.
J. Chem. Inf. Model.
Xiangying Zhang, Haotian Gao, Haojie Wang, Zhihang Chen, Zhe Zhang, Xinchong Chen, Yan Li, Yifei Qi, Renxiao Wang
2023 J jnl
HydraMap v.2: Prediction of Hydration Sites and Desolvation Energy with Refined Statistical Potentials.
J. Chem. Inf. Model.
Yan Li, Zhe Zhang, Renxiao Wang
2022 J jnl
Analysis of the Binding Sites on BAX and the Mechanism of BAX Activators through Extensive Molecular Dynamics Simulations.
J. Chem. Inf. Model.
Guoqin Feng, Xiangying Zhang, Yan Li, Renxiao Wang
2021 J jnl
Computational Chemistry in Asia.
J. Chem. Inf. Model.
Guo-Wei Wei, Thereza A. Soares, Habibah A. Wahab, Renxiao Wang
2020 J jnl
Editorial: Method and Data Sharing and Reproducibility of Scientific Results.
J. Chem. Inf. Model.
Kenneth M. Merz Jr., Rommie E. Amaro, Zoe Cournia, Matthias Rarey, Thereza A. Soares, Alexander Tropsha, Habibah A. Wahab, Renxiao Wang
2020 J jnl
Fragment-Based Computational Method for Designing GPCR Ligands.
J. Chem. Inf. Model.
Yan Li, Yaping Sun, Yunpeng Song, Dongcheng Dai, Zhixiong Zhao, Qing Zhang, Wenge Zhong, Liaoyuan A. Hu, Yingli Ma, Xun Li, Renxiao Wang
2020 J jnl
New Trends in Virtual Screening.
J. Chem. Inf. Model.
W. Patrick Walters, Renxiao Wang
2020 J jnl
Prediction of the Favorable Hydration Sites in a Protein Binding Pocket and Its Application to Scoring Function Formulation.
J. Chem. Inf. Model.
Yan Li, Yingduo Gao, M. Katharine Holloway, Renxiao Wang
2020 J jnl
Tapping on the Black Box: How Is the Scoring Power of a Machine-Learning Scoring Function Dependent on the Training Set?
J. Chem. Inf. Model.
Minyi Su, Guoqin Feng, Zhihai Liu, Yan Li, Renxiao Wang
2019 J jnl
Comparative Assessment of Scoring Functions: The CASF-2016 Update.
J. Chem. Inf. Model.
Minyi Su, Qifan Yang, Yu Du, Guoqin Feng, Zhihai Liu, Yan Li, Renxiao Wang
2019 J jnl
New Trends in Virtual Screening.
J. Chem. Inf. Model.
W. Patrick Walters, Renxiao Wang
2019 J jnl
Revisiting the Relationship Between Correlation Coefficient, Confidence Level, and Sample Size.
J. Chem. Inf. Model.
Qifan Yang, Minyi Su, Yan Li, Renxiao Wang
2018 J jnl
AlloFinder: a strategy for allosteric modulator discovery and allosterome analyses.
Nucleic Acids Res.
Min Huang, Kun Song, Xinyi Liu, Shaoyong Lu, Qiancheng Shen, Renxiao Wang, Jingze Gao, Yuanyuan Hong, Qian Li, Duan Ni, Jianrong Xu, Guoqiang Chen, Jian Zhang
2018 J jnl
TopP-S: Persistent homology-based multi-task deep neural networks for simultaneous predictions of partition coefficient and aqueous solubility.
J. Comput. Chem.
Kedi Wu, Zhixiong Zhao, Renxiao Wang, Guo-Wei Wei
2017 J jnl
Enhance the performance of current scoring functions with the aid of 3D protein-ligand interaction fingerprints.
BMC Bioinform.
Jie Liu, Minyi Su, Zhihai Liu, Jie Li, Yan Li, Renxiao Wang
2017 J jnl
Proposed Hydrogen-Bonding Index of Donor or Acceptor Reflecting Its Intrinsic Contribution to Hydrogen-Bonding Strength.
J. Chem. Inf. Model.
Suqing Zheng, Shaofang Xu, Guitao Wang, Qing Tang, Xiaonan Jiang, Zhanting Li, Yong Xu, Renxiao Wang, Fu Lin
2016 J jnl
Alloscore: a method for predicting allosteric ligand-protein interactions.
Bioinform.
Shuai Li, Qiancheng Shen, Minyi Su, Xinyi Liu, Shaoyong Lu, Zhongjie Chen, Renxiao Wang, Jian Zhang
2016 J jnl
AutoT&T v.2: An Efficient and Versatile Tool for Lead Structure Generation and Optimization.
J. Chem. Inf. Model.
Yan Li, Zhixiong Zhao, Zhihai Liu, Minyi Su, Renxiao Wang
2015 J jnl
Classification of Current Scoring Functions.
J. Chem. Inf. Model.
Jie Liu, Renxiao Wang
2015 J jnl
PDB-wide collection of binding data: current status of the PDBbind database.
Bioinform.
Zhihai Liu, Yan Li, Li Han, Jie Li, Jie Liu, Zhixiong Zhao, Wei Nie, Yuchen Liu, Renxiao Wang
2014 J jnl
Comparative Assessment of Scoring Functions on an Updated Benchmark: 1. Compilation of the Test Set.
J. Chem. Inf. Model.
Yan Li, Zhihai Liu, Jie Li, Li Han, Jie Liu, Zhixiong Zhao, Renxiao Wang
2014 J jnl
Comparative Assessment of Scoring Functions on an Updated Benchmark: 2. Evaluation Methods and General Results.
J. Chem. Inf. Model.
Yan Li, Li Han, Zhihai Liu, Renxiao Wang
2013 J jnl
Mining the Characteristic Interaction Patterns on Protein-Protein Binding Interfaces.
J. Chem. Inf. Model.
Yan Li, Zhihai Liu, Li Han, Chengke Li, Renxiao Wang
2011 J jnl
Automatic Tailoring and Transplanting: A Practical Method that Makes Virtual Screening More Useful.
J. Chem. Inf. Model.
Yan Li, Yuan Zhao, Zhihai Liu, Renxiao Wang
2010 J jnl
A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction.
BMC Bioinform.
Tiejun Cheng, Zhihai Liu, Renxiao Wang
2010 J jnl
Evaluation of the performance of four molecular docking programs on a diverse set of protein-ligand complexes.
J. Comput. Chem.
Xun Li, Yan Li, Tiejun Cheng, Zhihai Liu, Renxiao Wang
2010 J jnl
Test MM-PB/SA on True Conformational Ensembles of Protein-Ligand Complexes.
J. Chem. Inf. Model.
Yan Li, Zhihai Liu, Renxiao Wang
2009 J jnl
Comparative Assessment of Scoring Functions on a Diverse Test Set.
J. Chem. Inf. Model.
Tiejun Cheng, Xun Li, Yan Li, Zhihai Liu, Renxiao Wang
2009 J jnl
Interpretation of the Binding Affinities of PTP1B Inhibitors with the MM-GB/SA Method and the X-Score Scoring Function.
J. Chem. Inf. Model.
Xing-long Zhang, Xun Li, Renxiao Wang
2007 J jnl
Analysis of Ligand-Bound Water Molecules in High-Resolution Crystal Structures of Protein-Ligand Complexes.
J. Chem. Inf. Model.
Yipin Lu, Renxiao Wang, Chao-Yie Yang, Shaomeng Wang
2007 J jnl
Automatic Perception of Organic Molecules Based on Essential Structural Information.
J. Chem. Inf. Model.
Yuan Zhao, Tiejun Cheng, Renxiao Wang
2007 J jnl
Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge.
J. Chem. Inf. Model.
Tiejun Cheng, Yuan Zhao, Xun Li, Fu Lin, Yong Xu, Xing-long Zhang, Yan Li, Renxiao Wang, Luhua Lai
2004 J jnl
An Extensive Test of 14 Scoring Functions Using the PDBbind Refined Set of 800 Protein-Ligand Complexes.
J. Chem. Inf. Model.
Renxiao Wang, Yipin Lu, Xueliang Fang, Shaomeng Wang
2002 J jnl
Further development and validation of empirical scoring functions for structure-based binding affinity prediction.
J. Comput. Aided Mol. Des.
Renxiao Wang, Luhua Lai, Shaomeng Wang
2001 J jnl
How Does Consensus Scoring Work for Virtual Library Screening? An Idealized Computer Experiment.
J. Chem. Inf. Comput. Sci.
Renxiao Wang, Shaomeng Wang
1997 J jnl
A New Atom-Additive Method for Calculating Partition Coefficients.
J. Chem. Inf. Comput. Sci.
Renxiao Wang, Ying Fu, Luhua Lai
1996 J jnl
RASSE: A New Method for Structure-Based Drug Design.
J. Chem. Inf. Comput. Sci.
Zhaowen Luo, Renxiao Wang, Luhua Lai