Donghui Huo

State Key Laboratory Of Chemical Resource Engineering, P.O. Box 53, 15 BeiSanHuan East Road
Beijing, 100029, China

Last Updated: 09/26/2026

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Found 8 publications

Accelerating Scaffold Hopping in Fourth-Generation Epidermal Growth Factor Receptor Inhibitors via Multilevel Virtual Screening.

Accelerating Scaffold Hopping in Fourth-Generation Epidermal Growth Factor Receptor Inhibitors via Multilevel Virtual Screening.

Journal: ACS medicinal chemistry letters

Published: April 04, 2025

Sequence-based virtual screening using transformers.

Sequence-based virtual screening using transformers.

Journal: Nature communications

Published: August 01, 2024

Complete genome sequence of Rhodococcus sp. strain PD04, a pyridine-degrading bacterium under hypersaline condition.

Complete genome sequence of Rhodococcus sp. strain PD04, a pyridine-degrading bacterium under hypersaline condition.

Journal: Microbiology resource announcements

Published: June 11, 2024

Ligand and structure based hierarchical virtual screening cascade for finding novel epidermal growth factor receptor inhibitors.

Ligand and structure based hierarchical virtual screening cascade for finding novel epidermal growth factor receptor inhibitors.

Journal: Chemical biology & drug design

Published: May 07, 2023

Exploration and Exploitation Approaches Based on Generative Machine Learning to Identify Potent Small Molecule Inhibitors of α-Synuclein Secondary Nucleation.

Exploration and Exploitation Approaches Based on Generative Machine Learning to Identify Potent Small Molecule Inhibitors of α-Synuclein Secondary Nucleation.

Journal: Journal of chemical theory and computation

Published: March 20, 2023

Discovery of Novel Epidermal Growth Factor Receptor (EGFR) Inhibitors Using Computational Approaches.

Discovery of Novel Epidermal Growth Factor Receptor (EGFR) Inhibitors Using Computational Approaches.

Journal: Journal of chemical information and modeling

Published: December 21, 2021

Building 2D classification models and 3D CoMSIA models on small-molecule inhibitors of both wild-type and T790M/L858R double-mutant EGFR.

Building 2D classification models and 3D CoMSIA models on small-molecule inhibitors of both wild-type and T790M/L858R double-mutant EGFR.

Journal: Molecular diversity

Published: July 03, 2021

Fingerprint-based computational models of 5-lipo-oxygenase activating protein inhibitors: Activity prediction and structure clustering.

Fingerprint-based computational models of 5-lipo-oxygenase activating protein inhibitors: Activity prediction and structure clustering.

Journal: Chemical biology & drug design

Published: September 10, 2019

Showing 1-8 of 8

Last Updated: 09/26/2026