Renxiao Wang

Orcid: 0000-0003-0485-0259

According to our database1, Renxiao Wang authored at least 36 papers between 1996 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

2021
Computational Chemistry in Asia.
J. Chem. Inf. Model., 2021

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

Editorial: Method and Data Sharing and Reproducibility of Scientific Results.
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

New Trends in Virtual Screening.
J. Chem. Inf. Model., 2019

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

2018
AlloFinder: a strategy for allosteric modulator discovery and allosterome analyses.
Nucleic Acids Res., 2018

TopP-S: Persistent homology-based multi-task deep neural networks for simultaneous predictions of partition coefficient and aqueous solubility.
J. Comput. Chem., 2018

2017
Proposed Hydrogen-Bonding Index of Donor or Acceptor Reflecting Its Intrinsic Contribution to Hydrogen-Bonding Strength.
J. Chem. Inf. Model., July, 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

Alloscore: a method for predicting allosteric ligand-protein interactions.
Bioinform., 2016

2015
Classification of Current Scoring Functions.
J. Chem. Inf. Model., 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

A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction.
BMC Bioinform., 2010

2009
Interpretation of the Binding Affinities of PTP1B Inhibitors with the MM-GB/SA Method and the X-Score Scoring Function.
J. Chem. Inf. Model., 2009

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

2007
Automatic Perception of Organic Molecules Based on Essential Structural Information.
J. Chem. Inf. Model., 2007

Analysis of Ligand-Bound Water Molecules in High-Resolution Crystal Structures of Protein-Ligand Complexes.
J. Chem. Inf. Model., 2007

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

2004
An Extensive Test of 14 Scoring Functions Using the PDBbind Refined Set of 800 Protein-Ligand Complexes.
J. Chem. Inf. Model., 2004

2002
Further development and validation of empirical scoring functions for structure-based binding affinity prediction.
J. Comput. Aided Mol. Des., 2002

2001
How Does Consensus Scoring Work for Virtual Library Screening? An Idealized Computer Experiment.
J. Chem. Inf. Comput. Sci., 2001

1997
A New Atom-Additive Method for Calculating Partition Coefficients.
J. Chem. Inf. Comput. Sci., 1997

1996
RASSE: A New Method for Structure-Based Drug Design.
J. Chem. Inf. Comput. Sci., 1996


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