Yan Li

Orcid: 0000-0002-8259-2470

Affiliations:
  • Chinese Academy of Sciences, Shanghai Institute of Organic Chemistry, China


According to our database1, Yan Li authored at least 19 papers between 2007 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

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Bibliography

2024
PLANET: A Multi-objective Graph Neural Network Model for Protein-Ligand Binding Affinity Prediction.
J. Chem. Inf. Model., 2024

2023
HydraMap v.2: Prediction of Hydration Sites and Desolvation Energy with Refined Statistical Potentials.
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.
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?
J. Chem. Inf. Model., 2020

Fragment-Based Computational Method for Designing GPCR Ligands.
J. Chem. Inf. Model., 2020

Prediction of the Favorable Hydration Sites in a Protein Binding Pocket and Its Application to Scoring Function Formulation.
J. Chem. Inf. Model., 2020

2019
Revisiting the Relationship Between Correlation Coefficient, Confidence Level, and Sample Size.
J. Chem. Inf. Model., 2019

Comparative Assessment of Scoring Functions: The CASF-2016 Update.
J. Chem. Inf. Model., 2019

2017
Enhance the performance of current scoring functions with the aid of 3D protein-ligand interaction fingerprints.
BMC Bioinform., 2017

2016
AutoT&T v.2: An Efficient and Versatile Tool for Lead Structure Generation and Optimization.
J. Chem. Inf. Model., 2016

2015
PDB-wide collection of binding data: current status of the PDBbind database.
Bioinform., 2015

2014
Comparative Assessment of Scoring Functions on an Updated Benchmark: 1. Compilation of the Test Set.
J. Chem. Inf. Model., 2014

Comparative Assessment of Scoring Functions on an Updated Benchmark: 2. Evaluation Methods and General Results.
J. Chem. Inf. Model., 2014

2013
Mining the Characteristic Interaction Patterns on Protein-Protein Binding Interfaces.
J. Chem. Inf. Model., 2013

2011
Automatic Tailoring and Transplanting: A Practical Method that Makes Virtual Screening More Useful.
J. Chem. Inf. Model., 2011

2010
Test MM-PB/SA on True Conformational Ensembles of Protein-Ligand Complexes.
J. Chem. Inf. Model., 2010

Evaluation of the performance of four molecular docking programs on a diverse set of protein-ligand complexes.
J. Comput. Chem., 2010

2009
Comparative Assessment of Scoring Functions on a Diverse Test Set.
J. Chem. Inf. Model., 2009

2007
Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge.
J. Chem. Inf. Model., 2007


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