Renxiao Wang

Publication Activity (10 Years)

Years Active: 1996-2024
Publications (10 Years): 18

Top Topics

Scoring Function

Virtual Screening

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

Publications

Xiangying Zhang, Haotian Gao, Haojie Wang, Zhihang Chen, Zhe Zhang, Xinchong Chen, Yan Li, Yifei Qi, Renxiao Wang
PLANET: A Multi-objective Graph Neural Network Model for Protein-Ligand Binding Affinity Prediction. J. Chem. Inf. Model. 64 (7) (2024)
Yan Li, Zhe Zhang, Renxiao Wang
HydraMap v.2: Prediction of Hydration Sites and Desolvation Energy with Refined Statistical Potentials. J. Chem. Inf. Model. 63 (15) (2023)
Guoqin Feng, Xiangying Zhang, Yan Li, Renxiao Wang
Analysis of the Binding Sites on BAX and the Mechanism of BAX Activators through Extensive Molecular Dynamics Simulations. J. Chem. Inf. Model. 62 (21) (2022)
Guo-Wei Wei, Thereza A. Soares, Habibah A. Wahab, Renxiao Wang
Computational Chemistry in Asia. J. Chem. Inf. Model. 61 (2) (2021)
Minyi Su, Guoqin Feng, Zhihai Liu, Yan Li, Renxiao Wang
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. 60 (3) (2020)
Yan Li, Yaping Sun, Yunpeng Song, Dongcheng Dai, Zhixiong Zhao, Qing Zhang, Wenge Zhong, Liaoyuan A. Hu, Yingli Ma, Xun Li, Renxiao Wang
Fragment-Based Computational Method for Designing GPCR Ligands. J. Chem. Inf. Model. 60 (9) (2020)
W. Patrick Walters, Renxiao Wang
New Trends in Virtual Screening. J. Chem. Inf. Model. 60 (9) (2020)
Kenneth M. Merz Jr., Rommie E. Amaro, Zoe Cournia, Matthias Rarey, Thereza A. Soares, Alexander Tropsha, Habibah A. Wahab, Renxiao Wang
Editorial: Method and Data Sharing and Reproducibility of Scientific Results. J. Chem. Inf. Model. 60 (12) (2020)
Yan Li, Yingduo Gao, M. Katharine Holloway, Renxiao Wang
Prediction of the Favorable Hydration Sites in a Protein Binding Pocket and Its Application to Scoring Function Formulation. J. Chem. Inf. Model. 60 (9) (2020)
W. Patrick Walters, Renxiao Wang
New Trends in Virtual Screening. J. Chem. Inf. Model. 59 (9) (2019)
Qifan Yang, Minyi Su, Yan Li, Renxiao Wang
Revisiting the Relationship Between Correlation Coefficient, Confidence Level, and Sample Size. J. Chem. Inf. Model. 59 (11) (2019)
Minyi Su, Qifan Yang, Yu Du, Guoqin Feng, Zhihai Liu, Yan Li, Renxiao Wang
Comparative Assessment of Scoring Functions: The CASF-2016 Update. J. Chem. Inf. Model. 59 (2) (2019)
Kedi Wu, Zhixiong Zhao, Renxiao Wang, Guo-Wei Wei
TopP-S: Persistent homology-based multi-task deep neural networks for simultaneous predictions of partition coefficient and aqueous solubility. J. Comput. Chem. 39 (20) (2018)
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
AlloFinder: a strategy for allosteric modulator discovery and allosterome analyses. Nucleic Acids Res. 46 (Webserver-Issue) (2018)
Suqing Zheng, Shaofang Xu, Guitao Wang, Qing Tang, Xiaonan Jiang, Zhanting Li, Yong Xu, Renxiao Wang, Fu Lin
Proposed Hydrogen-Bonding Index of Donor or Acceptor Reflecting Its Intrinsic Contribution to Hydrogen-Bonding Strength. J. Chem. Inf. Model. 57 (7) (2017)
Jie Liu, Minyi Su, Zhihai Liu, Jie Li, Yan Li, Renxiao Wang
Enhance the performance of current scoring functions with the aid of 3D protein-ligand interaction fingerprints. BMC Bioinform. 18 (1) (2017)
Shuai Li, Qiancheng Shen, Minyi Su, Xinyi Liu, Shaoyong Lu, Zhongjie Chen, Renxiao Wang, Jian Zhang
Alloscore: a method for predicting allosteric ligand-protein interactions. Bioinform. 32 (10) (2016)
Yan Li, Zhixiong Zhao, Zhihai Liu, Minyi Su, Renxiao Wang
AutoT&T v.2: An Efficient and Versatile Tool for Lead Structure Generation and Optimization. J. Chem. Inf. Model. 56 (2) (2016)
Zhihai Liu, Yan Li, Li Han, Jie Li, Jie Liu, Zhixiong Zhao, Wei Nie, Yuchen Liu, Renxiao Wang
PDB-wide collection of binding data: current status of the PDBbind database. Bioinform. 31 (3) (2015)
Jie Liu, Renxiao Wang
Classification of Current Scoring Functions. J. Chem. Inf. Model. 55 (3) (2015)
Yan Li, Li Han, Zhihai Liu, Renxiao Wang
Comparative Assessment of Scoring Functions on an Updated Benchmark: 2. Evaluation Methods and General Results. J. Chem. Inf. Model. 54 (6) (2014)
Yan Li, Zhihai Liu, Jie Li, Li Han, Jie Liu, Zhixiong Zhao, Renxiao Wang
Comparative Assessment of Scoring Functions on an Updated Benchmark: 1. Compilation of the Test Set. J. Chem. Inf. Model. 54 (6) (2014)
Yan Li, Zhihai Liu, Li Han, Chengke Li, Renxiao Wang
Mining the Characteristic Interaction Patterns on Protein-Protein Binding Interfaces. J. Chem. Inf. Model. 53 (9) (2013)
Yan Li, Yuan Zhao, Zhihai Liu, Renxiao Wang
Automatic Tailoring and Transplanting: A Practical Method that Makes Virtual Screening More Useful. J. Chem. Inf. Model. 51 (6) (2011)
Tiejun Cheng, Zhihai Liu, Renxiao Wang
A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction. BMC Bioinform. 11 (2010)
Yan Li, Zhihai Liu, Renxiao Wang
Test MM-PB/SA on True Conformational Ensembles of Protein-Ligand Complexes. J. Chem. Inf. Model. 50 (9) (2010)
Xun Li, Yan Li, Tiejun Cheng, Zhihai Liu, Renxiao Wang
Evaluation of the performance of four molecular docking programs on a diverse set of protein-ligand complexes. J. Comput. Chem. 31 (11) (2010)
Xing-long Zhang, Xun Li, Renxiao Wang
Interpretation of the Binding Affinities of PTP1B Inhibitors with the MM-GB/SA Method and the X-Score Scoring Function. J. Chem. Inf. Model. 49 (4) (2009)
Tiejun Cheng, Xun Li, Yan Li, Zhihai Liu, Renxiao Wang
Comparative Assessment of Scoring Functions on a Diverse Test Set. J. Chem. Inf. Model. 49 (4) (2009)
Yipin Lu, Renxiao Wang, Chao-Yie Yang, Shaomeng Wang
Analysis of Ligand-Bound Water Molecules in High-Resolution Crystal Structures of Protein-Ligand Complexes. J. Chem. Inf. Model. 47 (2) (2007)
Yuan Zhao, Tiejun Cheng, Renxiao Wang
Automatic Perception of Organic Molecules Based on Essential Structural Information. J. Chem. Inf. Model. 47 (4) (2007)
Tiejun Cheng, Yuan Zhao, Xun Li, Fu Lin, Yong Xu, Xing-long Zhang, Yan Li, Renxiao Wang, Luhua Lai
Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge. J. Chem. Inf. Model. 47 (6) (2007)
Renxiao Wang, Yipin Lu, Xueliang Fang, Shaomeng Wang
An Extensive Test of 14 Scoring Functions Using the PDBbind Refined Set of 800 Protein-Ligand Complexes. J. Chem. Inf. Model. 44 (6) (2004)
Renxiao Wang, Luhua Lai, Shaomeng Wang
Further development and validation of empirical scoring functions for structure-based binding affinity prediction. J. Comput. Aided Mol. Des. 16 (1) (2002)
Renxiao Wang, Shaomeng Wang
How Does Consensus Scoring Work for Virtual Library Screening? An Idealized Computer Experiment. J. Chem. Inf. Comput. Sci. 41 (5) (2001)
Renxiao Wang, Ying Fu, Luhua Lai
A New Atom-Additive Method for Calculating Partition Coefficients. J. Chem. Inf. Comput. Sci. 37 (3) (1997)
Zhaowen Luo, Renxiao Wang, Luhua Lai
RASSE: A New Method for Structure-Based Drug Design. J. Chem. Inf. Comput. Sci. 36 (6) (1996)