186 results on '"Zheng, Qingchuan"'
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2. Computer Simulations to Explore Membrane Organization and Transport
3. A benzotriazole-coumarin derivative as a turn-on fluorescent probe for highly efficient and selective detection of homocysteine and its bioimaging application
4. A novel benzotriazole derivate with Twisted intramolecular charge transfer and Aggregation Induced emission features for proton determination
5. Novel Anthraquinone-Based Benzenesulfonamide Derivatives and Their Analogues as Potent Human Carbonic Anhydrase Inhibitors with Antitumor Activity: Synthesis, Biological Evaluation, and In Silico Analysis
6. The Potential of Cyclodextrins as Inhibitors for the BM2 Protein: An In Silico Investigation
7. Assessing the role of residue Phe108 of cytochrome P450 3A4 in allosteric effects of midazolam metabolism
8. Differences of Atomic-Level Interactions between Midazolam and Two CYP Isoforms 3A4 and 3A5
9. Active Binding Modes of Caffeine with Cytochrome P450 1A2 Determine Its Metabolite Profiles
10. The Important Role of Transporter Structures in Drug Disposition, Efficacy, and Toxicity
11. A Lightweight and High-Accuracy Deep Learning Method for Grassland Grazing Livestock Detection Using UAV Imagery
12. Exploring three important drug resistance mutations in ALK with three different inhibitors: insight from molecular simulations
13. A strategy of designing the ligand of antibody affinity chromatography based on molecular dynamics simulation
14. Dissecting the Effect of Temperature on Hyperthermophilic Pf2001 Esterase Dimerization by Molecular Dynamics.
15. A direct approach toward investigating DNA–ligand interactions via surface-enhanced Raman spectroscopy combined with molecular dynamics simulations
16. Molecular Insights into the Heterotropic Allosteric Mechanism in Cytochrome P450 3A4-Mediated Midazolam Metabolism
17. Novel chiral bifunctional l-thiazoline-amide derivatives: design and application in the direct enantioselective aldol reactions
18. Optimization of a MT1-MMP-targeting Peptide and Its Application in Near-infrared Fluorescence Tumor Imaging
19. A selective and sensitive fluorescence probe for Se(IV) based on fluorescence quenching of gatifloxacin
20. Theoretical investigation on binding process of allophanate to allophanate hydrolase
21. How mutations affecting the ligand-receptor interactions: a combined MD and QM/MM calculation on CYP2E1 and its two mutants
22. Insights into the binding mechanism between α‐TOH and CYP4F2: A homology modeling, molecular docking, and molecular dynamics simulation study.
23. Molecular Basis of the Recognition of Cholesterol by Cytochrome P450 46A1 along the Major Access Tunnel
24. Multiple Molecular Dynamics Simulations and Energy Analysis Unravel the Dynamic Properties and Binding Mechanism of Mutants HIV-1 Protease with DRV and CA-p2
25. Insight into the urea binding and K166R mutation stabilizing mechanism of TlpB: Molecular dynamics and principal component analysis study
26. Investigation of the molecular and mechanistic basis for the regioselective metabolism of midazolam by cytochrome P450 3A4
27. Multiple Molecular Dynamics Simulations and Free-Energy Predictions Uncover the Susceptibility of Variants of HIV-1 Protease against Inhibitors Darunavir and KNI-1657
28. A molecular dynamics investigation into the mechanisms of tvMyb2 recognizes and binds ap65-1
29. VARIDT 2.0: structural variability of drug transporter
30. Studies of Interaction Mechanism between Pyrido [3,4-d] Pyrimidine Inhibitors and Mps1
31. Addition of Diethylzinc to Aromatic Aldehydes Catalyzed by Hydrolase
32. A molecular dynamics and computational study of human KAT3 involved in KYN pathway
33. Ab initio study of the cooperativity between NH···N and NH···C hydrogen bonds in H3N–HNC–HNC complex
34. Theoretical studies of interaction models of human acetylcholine esterase with different inhibitors
35. A theoretical study on the signal transduction process of bacterial photoreceptor PpSB1 based on the Markov state model
36. How DNA affects the hyperthermophilic protein Ape10b2 for oligomerization: an investigation using multiple short molecular dynamics simulations
37. 航空推扫式外拼接成像系统子视场相对定向方法
38. Multiple Molecular Dynamics Simulations of the Inhibitor GRL-02031 Complex with Wild Type and Mutant HIV-1 Protease Reveal the Binding and Drug-Resistance Mechanism
39. Molecular Dynamics Investigations of Binding Mechanism for Triazoles Inhibitors to CYP51
40. Purified Vitexin Compound 1 Inhibits UVA-Induced Cellular Senescence in Human Dermal Fibroblasts by Binding Mitogen-Activated Protein Kinase 1
41. How do mutations affect the structural characteristics and substrate binding of CYP21A2? An investigation by molecular dynamics simulations
42. VARIDT 2.0: structural variability of drug transporter.
43. 航空推扫式外拼接成像系统子视场相对定向方法
44. A selective and sensitive fluorescence probe for Se(IV) based on fluorescence quenching of gatifloxacin
45. Key Factors in Conformation Transformation of an Important Neuronic Protein Glucose Transport 3 Revealed by Molecular Dynamics Simulation
46. Fosfomycin Protects Mice From Staphylococcus aureus Pneumonia Caused by α-Hemolysin in Extracellular Vesicles by Inhibiting MAPK-Regulated NLRP3 Inflammasomes
47. Rational design and synthesis of yellow-light emitting triazole fluorophores with AIE and mechanochromic properties
48. A unique activation–promotion mechanism of the influenza B M2 proton channel uncovered by multiscale simulations
49. How Chorismatases Regulate Distinct Reaction Channels in a Single Conserved Active Pocket: Mechanistic Analysis with QM/MM (ONIOM) Investigations
50. A molecular dynamics investigation into the mechanisms of alectinib resistance of three ALK mutants
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