Niu Huang

Orcid: 0000-0002-6912-033X

According to our database1, Niu Huang authored at least 15 papers between 2003 and 2024.

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

Timeline

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Online presence:

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Bibliography

2024
Structure-Based Identification of Organoruthenium Compounds as Nanomolar Antagonists of Cannabinoid Receptors.
J. Chem. Inf. Model., 2024

A High-Quality Data Set of Protein-Ligand Binding Interactions Via Comparative Complex Structure Modeling.
J. Chem. Inf. Model., 2024

2022
Redesigning and Optimizing UCSF DOCK3.7 on Sunway TaihuLight.
IEEE Trans. Parallel Distributed Syst., 2022

Assessment of the Generalization Abilities of Machine-Learning Scoring Functions for Structure-Based Virtual Screening.
J. Chem. Inf. Model., 2022

2021
Light Graph Convolutional Collaborative Filtering With Multi-Aspect Information.
IEEE Access, 2021

2020
Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J. Chem. Inf. Model., 2020

2019
Replacement of Protein Binding-Site Waters Contributes to Favorable Halogen Bond Interactions.
J. Chem. Inf. Model., 2019

Discovery of Novel Pim-1 Kinase Inhibitors with a Flexible-Receptor Docking Protocol.
J. Chem. Inf. Model., 2019

2015
Discovery of 2-Acylaminothiophene-3-Carboxamides as Multitarget Inhibitors for BCR-ABL Kinase and Microtubules.
J. Chem. Inf. Model., 2015

2014
Evaluation and Application of MD-PB/SA in Structure-Based Hierarchical Virtual Screening.
J. Chem. Inf. Model., 2014

2013
<i>Ab Initio</i> Modeling and Experimental Assessment of Janus Kinase 2 (JAK2) Kinase-Pseudokinase Complex Structure.
PLoS Comput. Biol., 2013

A partition function-based weighting scheme in force field parameter development using <i>ab initio</i> calculation results in global configurational space.
J. Comput. Chem., 2013

2012
Discovery of Novel Tubulin Inhibitors via Structure-Based Hierarchical Virtual Screening.
J. Chem. Inf. Model., 2012

2006
Physics-Based Scoring of Protein-Ligand Complexes: Enrichment of Known Inhibitors in Large-Scale Virtual Screening.
J. Chem. Inf. Model., 2006

2003
Consideration of Molecular Weight during Compound Selection in Virtual Target-Based Database Screening.
J. Chem. Inf. Comput. Sci., 2003


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