Yan Li

According to our database, Yan Li authored at least 19 papers between 2007 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

PLANET: A Multi-objective Graph Neural Network Model for Protein-Ligand Binding Affinity Prediction.

Xiangying Zhang, Haotian Gao, Haojie Wang, Zhihang Chen, Zhe Zhang, Xinchong Chen, Yan Li, Yifei Qi, Renxiao Wang

J. Chem. Inf. Model., 2024

2023

HydraMap v.2: Prediction of Hydration Sites and Desolvation Energy with Refined Statistical Potentials.

Yan Li, Zhe Zhang, Renxiao Wang

J. Chem. Inf. Model., August, 2023

2022

Analysis of the Binding Sites on BAX and the Mechanism of BAX Activators through Extensive Molecular Dynamics Simulations.

Guoqin Feng, Xiangying Zhang, Yan Li, Renxiao Wang

J. Chem. Inf. Model., 2022

2020

Tapping on the Black Box: How Is the Scoring Power of a Machine-Learning Scoring Function Dependent on the Training Set?

Minyi Su, Guoqin Feng, Zhihai Liu, Yan Li, Renxiao Wang

J. Chem. Inf. Model., 2020

Fragment-Based Computational Method for Designing GPCR Ligands.

Yan Li, Yaping Sun, Yunpeng Song, Dongcheng Dai, Zhixiong Zhao, Qing Zhang, Wenge Zhong, Liaoyuan A. Hu, Yingli Ma, Xun Li, Renxiao Wang

J. Chem. Inf. Model., 2020

Prediction of the Favorable Hydration Sites in a Protein Binding Pocket and Its Application to Scoring Function Formulation.

Yan Li, Yingduo Gao, M. Katharine Holloway, Renxiao Wang

J. Chem. Inf. Model., 2020

2019

Revisiting the Relationship Between Correlation Coefficient, Confidence Level, and Sample Size.

Qifan Yang, Minyi Su, Yan Li, Renxiao Wang

J. Chem. Inf. Model., 2019

Comparative Assessment of Scoring Functions: The CASF-2016 Update.

Minyi Su, Qifan Yang, Yu Du, Guoqin Feng, Zhihai Liu, Yan Li, Renxiao Wang

J. Chem. Inf. Model., 2019

2017

Enhance the performance of current scoring functions with the aid of 3D protein-ligand interaction fingerprints.

Jie Liu, Minyi Su, Zhihai Liu, Jie Li, Yan Li, Renxiao Wang

BMC Bioinform., 2017

2016

AutoT&T v.2: An Efficient and Versatile Tool for Lead Structure Generation and Optimization.

Yan Li, Zhixiong Zhao, Zhihai Liu, Minyi Su, Renxiao Wang

J. Chem. Inf. Model., 2016

2015

PDB-wide collection of binding data: current status of the PDBbind database.

Zhihai Liu, Yan Li, Li Han, Jie Li, Jie Liu, Zhixiong Zhao, Wei Nie, Yuchen Liu, Renxiao Wang

Bioinform., 2015

2014

Comparative Assessment of Scoring Functions on an Updated Benchmark: 1. Compilation of the Test Set.

Yan Li, Zhihai Liu, Jie Li, Li Han, Jie Liu, Zhixiong Zhao, Renxiao Wang

J. Chem. Inf. Model., 2014

Comparative Assessment of Scoring Functions on an Updated Benchmark: 2. Evaluation Methods and General Results.

Yan Li, Li Han, Zhihai Liu, Renxiao Wang

J. Chem. Inf. Model., 2014

2013

Mining the Characteristic Interaction Patterns on Protein-Protein Binding Interfaces.

Yan Li, Zhihai Liu, Li Han, Chengke Li, Renxiao Wang

J. Chem. Inf. Model., 2013

2011

Automatic Tailoring and Transplanting: A Practical Method that Makes Virtual Screening More Useful.

Yan Li, Yuan Zhao, Zhihai Liu, Renxiao Wang

J. Chem. Inf. Model., 2011

2010

Test MM-PB/SA on True Conformational Ensembles of Protein-Ligand Complexes.

Yan Li, Zhihai Liu, Renxiao Wang

J. Chem. Inf. Model., 2010

Evaluation of the performance of four molecular docking programs on a diverse set of protein-ligand complexes.

Xun Li, Yan Li, Tiejun Cheng, Zhihai Liu, Renxiao Wang

J. Comput. Chem., 2010

2009

Comparative Assessment of Scoring Functions on a Diverse Test Set.

Tiejun Cheng, Xun Li, Yan Li, Zhihai Liu, Renxiao Wang

J. Chem. Inf. Model., 2009

2007

Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge.

Tiejun Cheng, Yuan Zhao, Xun Li, Fu Lin, Yong Xu, Xing-long Zhang, Yan Li, Renxiao Wang, Luhua Lai

J. Chem. Inf. Model., 2007