533 results on '"Xie, Xiang‐Qun"'
Search Results
2. Artificial Intelligence Generative Chemistry Design of Target-Specific Scaffold-Focused Small Molecule Drug Libraries
3. Artificial Intelligence Technologies for Clinical Data PharmacoAnalytics Case Studies on Alzheimer’s Disease
4. Generative chemistry: drug discovery with deep learning generative models
5. Metabolism-guided development of Ko143 analogs as ABCG2 inhibitors
6. Targeting the endocannabinoid system: Structural determinants and molecular mechanism of allosteric modulation
7. Unpolarized laser method for infrared spectrum calculation of amide I C[dbnd]O bonds in proteins using molecular dynamics simulation
8. Discovery of a pyrano[2,3-b]pyridine derivative YX-2102 as a cannabinoid receptor 2 agonist for alleviating lung fibrosis
9. AI-based IsAb2.0 for antibody design.
10. Enhanced self-renewal of human long-term hematopoietic stem cells by a sulfamoyl benzoate derivative targeting p18INK4C
11. Sequestsome-1/p62-targeted small molecules for pancreatic cancer therapy
12. Covalent allosteric modulation: An emerging strategy for GPCRs drug discovery
13. Analysis of substance use and its outcomes by machine learning: II. Derivation and prediction of the trajectory of substance use severity
14. Analysis of substance use and its outcomes by machine learning I. Childhood evaluation of liability to substance use disorder
15. A novel small-molecule antagonizes PRMT5-mediated KLF4 methylation for targeted therapy
16. N-terminal arginylation generates a bimodal degron that modulates autophagic proteolysis
17. Generative chemistry: drug discovery with deep learning generative models
18. Synergism of antihypertensives and cholinesterase inhibitors in Alzheimer's disease
19. Structural insight into the serotonin (5-HT) receptor family by molecular docking, molecular dynamics simulation and systems pharmacology analysis
20. Prediction of Drug–Drug Interactions Between Opioids and Overdosed Benzodiazepines Using Physiologically Based Pharmacokinetic (PBPK) Modeling and Simulation
21. Significantly different effects of tetrahydroberberrubine enantiomers on dopamine D1/D2 receptors revealed by experimental study and integrated in silico simulation
22. Computational systems pharmacology analysis of cannabidiol: a combination of chemogenomics-knowledgebase network analysis and integrated in silico modeling and simulation
23. Calculate protein–ligand binding affinities with the extended linear interaction energy method: application on the Cathepsin S set in the D3R Grand Challenge 3
24. Structural Determinants for Recognition and Translocation by the Anandamide Transporter
25. Chemogenomics knowledgebase and systems pharmacology for hallucinogen target identification—Salvinorin A as a case study
26. Unpolarized laser method for infrared spectrum calculation of amide I C O bonds in proteins using molecular dynamics simulation
27. Insight of Captagon Abuse by Chemogenomics Knowledgebase-guided Systems Pharmacology Target Mapping Analyses
28. Molecular Modeling Study of a Receptor–Orthosteric Ligand–Allosteric Modulator Signaling Complex
29. Cytotoxic limonoids from Trichilia americana leaves
30. Additional file 1 of Discovery of a pyrano[2,3-b]pyridine derivative YX-2102 as a cannabinoid receptor 2 agonist for alleviating lung fibrosis
31. Integrated In Silico Fragment-Based Drug Design: Case Study with Allosteric Modulators on Metabotropic Glutamate Receptor 5
32. Virus-CKB 2.0: Viral-Associated Disease-Specific Chemogenomics Knowledgebase
33. Discovery of a pyrano[2,3-b]pyridine derivative YX-2102 as a cannabinoid receptor 2 agonist for alleviating lung fibrosis
34. An insight into paracetamol and its metabolites using molecular docking and molecular dynamics simulation
35. Correction to: Deep Learning for Drug Design: an Artificial Intelligence Paradigm for Drug Discovery in the Big Data Era
36. Computational Fragment-Based Drug Design: Current Trends, Strategies, and Applications
37. Multi-Functional Diarylurea Small Molecule Inhibitors of TRPV1 with Therapeutic Potential for Neuroinflammation
38. Differential performance of RoseTTAFold in antibody modeling
39. Computational Advances for the Development of Allosteric Modulators and Bitopic Ligands in G Protein-Coupled Receptors
40. Lipophilicity screening of novel drug-like compounds and comparison to clog P
41. Design and activity of AP endonuclease-1 inhibitors
42. Allosteric Binding Site and Activation Mechanism of Class C G-Protein Coupled Receptors: Metabotropic Glutamate Receptor Family
43. How Do Modulators Affect the Orthosteric and Allosteric Binding Pockets?
44. Artificial Intelligent Deep Learning Molecular Generative Modeling of Scaffold-Focused and Cannabinoid CB2 Target-Specific Small-Molecule Sublibraries
45. In Silico Chemogenomics Knowledgebase and Computational System Neuropharmacology Approach for Cannabinoid Drug Research
46. List of Contributors
47. p62/SQSTM1/Sequestosome-1 is an N-recognin of the N-end rule pathway which modulates autophagosome biogenesis
48. Beta-Caryophyllene Is a Dietary Cannabinoid
49. In Silico Prediction and Validation of CB2 Allosteric Binding Sites to Aid the Design of Allosteric Modulators
50. Targeting Cannabinoid Receptor-2 Pathway by Phenylacetylamide Suppresses the Proliferation of Human Myeloma Cells Through Mitotic Dysregulation and Cytoskeleton Disruption
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