List of works - Jie Xia

A Thoroughly Validated Virtual Screening Strategy for Discovery of Novel HDAC3 Inhibitors

scientific article published on 18 January 2017

An unbiased method to build benchmarking sets for ligand-based virtual screening and its application to GPCRs

scientific article

Bacterial lipoprotein biosynthetic pathway as a potential target for structure-based design of antibacterial agents

scientific article published on 01 January 2020

Benchmarking methods and data sets for ligand enrichment assessment in virtual screening

scientific article

Comparative modeling and benchmarking data sets for human histone deacetylases and sirtuin families.

scientific article

Design and synthesis of conformationally constrained salinomycin derivatives

scientific article published on 29 June 2017

Design, synthesis and biological evaluation of noncovalent inhibitors of human CD38 NADase

scientific article published on 03 January 2012

Discovery of novel isoflavone derivatives as AChE/BuChE dual-targeted inhibitors: synthesis, biological evaluation and molecular modelling.

scientific article

Discovery of potent PTP1B inhibitors via structure-based drug design, synthesis and in vitro bioassay of Norathyriol derivatives

scientific article published on 28 January 2019

Enrichment assessment of multiple virtual screening strategies for Toll-like receptor 8 agonists based on a maximal unbiased benchmarking data set.

scientific article

MUBD-DecoyMaker 2.0: A Python GUI Application to Generate Maximal Unbiased Benchmarking Data Sets for Virtual Drug Screening

scientific article published on 23 December 2019

Maximal Unbiased Benchmarking Data Sets for Human Chemokine Receptors and Comparative Analysis.

scientific article published on 26 April 2018

Mechanism-based design, synthesis and biological studies of N⁵-substituted tetrahydrofolate analogs as inhibitors of cobalamin-dependent methionine synthase and potential anticancer agents

scientific article

N-thiadiazole-4-hydroxy-2-quinolone-3-carboxamides bearing heteroaromatic rings as novel antibacterial agents: Design, synthesis, biological evaluation and target identification

scientific article published on 30 December 2019

Pose Filter-Based Ensemble Learning Enables Discovery of Orally Active, Nonsteroidal Farnesoid X Receptor Agonists

scientific article published on 25 February 2020

The Development of Target-Specific Pose Filter Ensembles To Boost Ligand Enrichment for Structure-Based Virtual Screening.

scientific article published on 16 May 2017

The discovery of novel HDAC3 inhibitors via virtual screening and in vitro bioassay.

scientific article published in December 2018

Virtual Screening against Phosphoglycerate Kinase 1 in Quest of Novel Apoptosis Inhibitors.

scientific article

List of works by Jie Xia

A Thoroughly Validated Virtual Screening Strategy for Discovery of Novel HDAC3 Inhibitors

An unbiased method to build benchmarking sets for ligand-based virtual screening and its application to GPCRs

Bacterial lipoprotein biosynthetic pathway as a potential target for structure-based design of antibacterial agents

Benchmarking methods and data sets for ligand enrichment assessment in virtual screening

Comparative modeling and benchmarking data sets for human histone deacetylases and sirtuin families.

Design and synthesis of conformationally constrained salinomycin derivatives

Design, synthesis and biological evaluation of noncovalent inhibitors of human CD38 NADase

Discovery of novel isoflavone derivatives as AChE/BuChE dual-targeted inhibitors: synthesis, biological evaluation and molecular modelling.

Discovery of potent PTP1B inhibitors via structure-based drug design, synthesis and in vitro bioassay of Norathyriol derivatives

Enrichment assessment of multiple virtual screening strategies for Toll-like receptor 8 agonists based on a maximal unbiased benchmarking data set.

MUBD-DecoyMaker 2.0: A Python GUI Application to Generate Maximal Unbiased Benchmarking Data Sets for Virtual Drug Screening

Maximal Unbiased Benchmarking Data Sets for Human Chemokine Receptors and Comparative Analysis.

Mechanism-based design, synthesis and biological studies of N⁵-substituted tetrahydrofolate analogs as inhibitors of cobalamin-dependent methionine synthase and potential anticancer agents

N-thiadiazole-4-hydroxy-2-quinolone-3-carboxamides bearing heteroaromatic rings as novel antibacterial agents: Design, synthesis, biological evaluation and target identification

Pose Filter-Based Ensemble Learning Enables Discovery of Orally Active, Nonsteroidal Farnesoid X Receptor Agonists

The Development of Target-Specific Pose Filter Ensembles To Boost Ligand Enrichment for Structure-Based Virtual Screening.

The discovery of novel HDAC3 inhibitors via virtual screening and in vitro bioassay.

Virtual Screening against Phosphoglycerate Kinase 1 in Quest of Novel Apoptosis Inhibitors.