The PDBbind Database:  Collection of Binding Affinities for Protein−Ligand Complexes with Known Three-Dimensional Structures

Renxiao Wang, Xueliang Fang, Yipin Lu, +1

Journal of Medicinal Chemistry

The PDBbind Database:  Methodologies and Updates

Renxiao Wang, Xueliang Fang, Yipin Lu, +2

Journal of Medicinal Chemistry

EngineeringPdbbind DatabaseBig Data IndexingMolecular BiologyData Science +17

Development and optimization of a binding assay for the XIAP BIR3 domain using fluorescence polarization

Zaneta Nikolovska‐Coleska, Renxiao Wang, Xueliang Fang, +8

Analytical Biochemistry

Xiap Bir3 DomainBiochemistryMedicineNatural SciencesBioanalysis +6

Discovery of Embelin as a Cell-Permeable, Small-Molecular Weight Inhibitor of XIAP through Structure-Based Computational Screening of a Traditional Herbal Medicine Three-Dimensional Structure Database

Zaneta Nikolovska‐Coleska, Liang Xu, Zengjian Hu, +10

Journal of Medicinal Chemistry

Pharmaceutical ResearchDrug TargetChemoprevention StrategyApoptosisCell Death +17

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

Renxiao Wang, Yipin Lu, Xueliang Fang, +1

Journal of Chemical Information and Computer Sciences

Structural BioinformaticsBiomolecular Structure PredictionMolecular BiologyTrypsin ComplexesExtensive Test +16

Molecular Modeling of the Three-Dimensional Structure of Dopamine 3 (D₃) Subtype Receptor:  Discovery of Novel and Potent D₃Ligands through a Hybrid Pharmacophore- and Structure-Based Database Searching Approach

Judith Varady, Xihan Wu, Xueliang Fang, +4

Journal of Medicinal Chemistry

A deep learning-based radiomic nomogram for prognosis and treatment decision in advanced nasopharyngeal carcinoma: A multicentre study

Lianzhen Zhong, Di Dong, Xueliang Fang, +15

EBioMedicine

Discovery of a Nanomolar Inhibitor of the Human Murine Double Minute 2 (MDM2)−p53 Interaction through an Integrated, Virtual Database Screening Strategy

Yipin Lu, Zaneta Nikolovska‐Coleska, Xueliang Fang, +5

Journal of Medicinal Chemistry

Molecular PharmacologyMedicinal ChemistryMdm2-p53 InteractionDrug TargetDrug Targeting +13

USP44 regulates irradiation-induced DNA double-strand break repair and suppresses tumorigenesis in nasopharyngeal carcinoma

Yang Chen, Yin Zhao, Xiaojing Yang, +13

Nature Communications

Design of Bcl-2 and Bcl-xL Inhibitors with Subnanomolar Binding Affinities Based upon a New Scaffold

Haibin Zhou, Jianfang Chen, Jennifer L. Meagher, +9

Journal of Medicinal Chemistry

Crystal StructureDrug TargetMolecular BiologyChemical BiologyPharmaceutical Chemistry +17