about
Crystal structure of a membrane-bound l-amino acid deaminase from Proteus vulgarisPredicting mTOR inhibitors with a classifier using recursive partitioning and Naïve Bayesian approachesGSA: a GPU-accelerated structure similarity algorithm and its application in progressive virtual screening.gWEGA: GPU-accelerated WEGA for molecular superposition and shape comparison.Synthesis, antitumor activity, and mechanism of action of 6-acrylic phenethyl ester-2-pyranone derivatives.Chemical Structure Similarity Search for Ligand-based Virtual Screening: Methods and Computational Resources.Predicting DPP-IV inhibitors with machine learning approaches.Discovering new mTOR inhibitors for cancer treatment through virtual screening methods and in vitro assays.Structure Activity Related, Mechanistic, and Modeling Studies of Gallotannins containing a Glucitol-Core and α-GlucosidaseCarolignans from the Aerial Parts of Euphorbia sikkimensis and Their Anti-HIV Activity.Anti-influenza agents from Traditional Chinese Medicine.Optimizing lactose hydrolysis by computer-guided modification of the catalytic site of a wild-type enzyme.ASDB: a resource for probing protein functions with small molecules.Vitepyrroloids A-D, 2-Cyanopyrrole-Containing Labdane Diterpenoid Alkaloids from the Leaves of Vitex trifolia.Diterpenoids with diverse scaffolds from Vitex trifolia as potential topoisomerase I inhibitor.Incorporation of Privileged Structures into Bevirimat Can Improve Activity against Wild-Type and Bevirimat-Resistant HIV-1.Synthesis and anti-neuroinflammatory activity of lactone benzoyl hydrazine and 2-nitro-1-phenyl-1h-indole derivatives as p38α MAPK inhibitors.Cosmetic applications of glucitol-core containing gallotannins from a proprietary phenolic-enriched red maple (Acer rubrum) leaves extract: inhibition of melanogenesis via down-regulation of tyrosinase and melanogenic gene expression in B16F10 melancBinderDB: a covalent binding agent database.Pterosin Sesquiterpenoids from Pteris cretica as Hypolipidemic Agents via Activating Liver X Receptors.SC-514, a selective inhibitor of IKKβ attenuates RANKL-induced osteoclastogenesis and NF-κB activation.Euphomilones A and B, ent-Rosane Diterpenoids with 7/5/6 and 5/7/6 Skeletons from Euphorbia milii.Sciadopitysin: active component from Taxus chinensis for anti-Alzheimer's disease.Discovery of novel rivastigmine-hydroxycinnamic acid hybrids as multi-targeted agents for Alzheimer's disease.Anti-inflammatory neolignans from the roots of Magnolia officinalis.Semisynthesis of (-)-Rutamarin Derivatives and Their Inhibitory Activity on Epstein-Barr Virus Lytic Replication.Predicting selective liver X receptor β agonists using multiple machine learning methods.Neo-clerodane diterpenoids from Scutellaria barbata with activity against Epstein-Barr virus lytic replication.Predicting dual-targeting anti-influenza agents using multi-models.Discovering new agents active against methicillin-resistant Staphylococcus aureus with ligand-based approaches.An in silico protocol for identifying mTOR inhibitors from natural products.Potential antiviral lignans from the roots of Saururus chinensis with activity against Epstein-Barr virus lytic replication.Synthesis of quinolin-2-one alkaloid derivatives and their inhibitory activities against HIV-1 reverse transcriptase.ChemStable: a web server for rule-embedded naïve Bayesian learning approach to predict compound stability.PTS: a pharmaceutical target seeker.Design, syntheses and lipid accumulation inhibitory activities of novel resveratrol mimics.Discovering new PI3Kα inhibitors with a strategy of combining ligand-based and structure-based virtual screening.Ethylnaphthoquinone derivatives as inhibitors of indoleamine-2, 3-dioxygenase from the mangrove endophytic fungus Neofusicoccum austral SYSU-SKS024.TCMAnalyzer: a Chemo- and Bioinformatics Web Service for Analyzing Traditional Chinese Medicine.LBVS: an online platform for ligand-based virtual screening using publicly accessible databases.
P50
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researcher ORCID ID = 0000-0001-6011-3697
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Qiong Gu
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P31
P496
0000-0001-6011-3697