Yan Li

Publication Activity (10 Years)

Years Active: 2007-2024
Publications (10 Years): 9

Top Topics

Evaluation Methods

Top Venues

J. Chem. Inf. Model.

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)
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)
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)
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)
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)
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)
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)
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)
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)
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)