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2020 – today
- 2024
[j37]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): 2205-2220 (2024)- 2023
- [j36]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): 4749-4761 (2023) - 2022
- [j35]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): 5208-5222 (2022) - 2021
- [j34]Guo-Wei Wei, Thereza A. Soares, Habibah A. Wahab, Renxiao Wang:
Computational Chemistry in Asia. J. Chem. Inf. Model. 61(2): 547 (2021) - 2020
- [j33]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): 1122-1136 (2020) - [j32]W. Patrick Walters, Renxiao Wang:
New Trends in Virtual Screening. J. Chem. Inf. Model. 60(9): 4109-4111 (2020) - [j31]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): 4339-4349 (2020) - [j30]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): 4359-4375 (2020) - [j29]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): 5868-5869 (2020)
2010 – 2019
- 2019
- [j28]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): 895-913 (2019) - [j27]W. Patrick Walters, Renxiao Wang:
New Trends in Virtual Screening. J. Chem. Inf. Model. 59(9): 3603-3604 (2019) - [j26]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): 4602-4612 (2019) - 2018
- [j25]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): 1444-1454 (2018) - [j24]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): W451-W458 (2018) - 2017
- [j23]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): 343 (2017) - [j22]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): 1535-1547 (2017) - 2016
- [j21]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): 1574-1576 (2016) - [j20]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): 435-453 (2016) - 2015
- [j19]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): 405-412 (2015) - [j18]Jie Liu, Renxiao Wang:
Classification of Current Scoring Functions. J. Chem. Inf. Model. 55(3): 475-482 (2015) - 2014
- [j17]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): 1700-1716 (2014) - [j16]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): 1717-1736 (2014) - 2013
- [j15]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): 2437-2447 (2013) - 2011
- [j14]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): 1474-1491 (2011) - 2010
- [j13]Tiejun Cheng, Zhihai Liu, Renxiao Wang:
A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction. BMC Bioinform. 11: 193 (2010) - [j12]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): 2109-2125 (2010) - [j11]Yan Li, Zhihai Liu, Renxiao Wang:
Test MM-PB/SA on True Conformational Ensembles of Protein-Ligand Complexes. J. Chem. Inf. Model. 50(9): 1682-1692 (2010)
2000 – 2009
- 2009
- [j10]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): 1033-1048 (2009) - [j9]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): 1079-1093 (2009) - 2007
- [j8]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): 668-675 (2007) - [j7]Yuan Zhao, Tiejun Cheng, Renxiao Wang:
Automatic Perception of Organic Molecules Based on Essential Structural Information. J. Chem. Inf. Model. 47(4): 1379-1385 (2007) - [j6]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): 2140-2148 (2007) - 2004
- [j5]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): 2114-2125 (2004) - 2002
- [j4]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): 11-26 (2002) - 2001
- [j3]Renxiao Wang, Shaomeng Wang:
How Does Consensus Scoring Work for Virtual Library Screening? An Idealized Computer Experiment. J. Chem. Inf. Comput. Sci. 41(5): 1422-1426 (2001)
1990 – 1999
- 1997
- [j2]Renxiao Wang, Ying Fu, Luhua Lai:
A New Atom-Additive Method for Calculating Partition Coefficients. J. Chem. Inf. Comput. Sci. 37(3): 615-621 (1997) - 1996
- [j1]Zhaowen Luo, Renxiao Wang, Luhua Lai:
RASSE: A New Method for Structure-Based Drug Design. J. Chem. Inf. Comput. Sci. 36(6): 1187-1194 (1996)
Coauthor Index
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