Yan Li

21 papers Journal 21
YearRankTypeTitle / Venue / Authors
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
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
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
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
Revisiting the Relationship Between Correlation Coefficient, Confidence Level, and Sample Size.
J. Chem. Inf. Model.
Qifan Yang, Minyi Su, Yan Li, Renxiao Wang
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
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
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
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
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