Renxiao Wang

发表

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

Yan Li, Zhixiong Zhao, Zhihai Liu, 2016, J. Chem. Inf. Model..

A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction

Zhihai Liu, Tiejun Cheng, Renxiao Wang, 2010, BMC Bioinformatics.

RASSE: A New Method for Structure-Based Drug Design

Luhua Lai, Zhaowen Luo, Renxiao Wang, 1996, J. Chem. Inf. Comput. Sci..

An Extensive Test of 14 Scoring Functions Using the PDBbind Refined Set of 800 Protein-Ligand Complexes

Shaomeng Wang, Renxiao Wang, Xueliang Fang, 2004, J. Chem. Inf. Model..

Development of a high-quality benchmark for scoring function assessment

Yan Li, Li Han, Jie Li, 2015 .

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

Zhihai Liu, Li Han, Yan Li, 2014, J. Chem. Inf. Model..

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

Jie Li, Zhihai Liu, Jie Liu, 2017, BMC Bioinformatics.

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

Zhihai Liu, Yan Li, Renxiao Wang, 2010, J. Chem. Inf. Model..

A New Atom-Additive Method for Calculating Partition Coefficients

Luhua Lai, Ying Fu, Renxiao Wang, 1997, J. Chem. Inf. Comput. Sci..

Comparative Assessment of Scoring Functions on a Diverse Test Set

Zhihai Liu, Yan Li, Xun Li, 2009, J. Chem. Inf. Model..

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

Jie Li, Zhihai Liu, Jie Liu, 2015, Bioinform..

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

Yuan Zhao, Zhihai Liu, Yan Li, 2011, J. Chem. Inf. Model..

Interpretation of the Binding Affinities of PTP1B Inhibitors with the MM-GB/SA Method and the X-Score Scoring Function

Xun Li, Renxiao Wang, Xing-long Zhang, 2009, J. Chem. Inf. Model..

Mining the Characteristic Interaction Patterns on Protein-Protein Binding Interfaces

Zhihai Liu, Li Han, Yan Li, 2013, J. Chem. Inf. Model..

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

Zhihai Liu, Minyi Su, Renxiao Wang, 2020, J. Chem. Inf. Model..

Automatic Perception of Organic Molecules Based on Essential Structural Information

Yuan Zhao, Tiejun Cheng, Renxiao Wang, 2007, J. Chem. Inf. Model..

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

Jie Li, Yan Li, Jie Liu, 2014, J. Chem. Inf. Model..

Analysis of Ligand-Bound Water Molecules in High-Resolution Crystal Structures of Protein-Ligand Complexes

Renxiao Wang, Chao-Yie Yang, Shaomeng Wang, 2007, J. Chem. Inf. Model..

TopP–S: Persistent homology‐based multi‐task deep neural networks for simultaneous predictions of partition coefficient and aqueous solubility

Guo-Wei Wei, Zhixiong Zhao, Renxiao Wang, 2017, J. Comput. Chem..

Open access databases in the field of drug discovery

Jie Li, Li Han, Jie Liu, 2015 .

Further development and validation of empirical scoring functions for structure-based binding affinity prediction

Luhua Lai, Shaomeng Wang, Renxiao Wang, 2002, J. Comput. Aided Mol. Des..

How Does Consensus Scoring Work for Virtual Library Screening? An Idealized Computer Experiment

Shaomeng Wang, Renxiao Wang, Renxiao Wang, 2001, J. Chem. Inf. Comput. Sci..

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

Zhihai Liu, Yan Li, Xun Li, 2010, J. Comput. Chem..

Alloscore: a method for predicting allosteric ligand-protein interactions

Shuai Li, Shaoyong Lu, Jian Zhang, 2016, Bioinform..

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

Renxiao Wang, Yan Li, M Katharine Holloway, 2020, J. Chem. Inf. Model..

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

Yuan Zhao, Yong Xu, Yan Li, 2007, J. Chem. Inf. Model..

Classification of Current Scoring Functions

Jie Liu, Renxiao Wang, Renxiao Wang, 2015, J. Chem. Inf. Model..