388 results on '"Iorga, Bogdan I."'
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2. Oncogenic CALR mutant C-terminus mediates dual binding to the thrombopoietin receptor triggering complex dimerization and activation
3. Pseudomonasaeruginosa antimicrobial susceptibility profiles, resistance mechanisms and international clonal lineages: update from ESGARS-ESCMID/ISARPAE Group
4. Evaluation of borinic acids as new, fast hydrogen peroxide–responsive triggers
5. Synthetic Pinnatoxins A and G Reversibly Block Mouse Skeletal Neuromuscular Transmission In Vivo and In Vitro.
6. Chemical Investigation of the Calcareous Marine Sponge Pericharax heteroraphis, Clathridine-A Related Derivatives Isolation, Synthesis and Osteogenic Activity
7. Disorder is a critical component of lipoprotein sorting in Gram-negative bacteria
8. Azetidinimines as a novel series of non-covalent broad-spectrum inhibitors of β-lactamases with submicromolar activities against carbapenemases KPC-2 (class A), NDM-1 (class B) and OXA-48 (class D)
9. Perspective on the SAMPL and D3R Blind Prediction Challenges for Physics-Based Free Energy Methods
10. Cyclic imine toxins from dinoflagellates: a growing family of potent antagonists of the nicotinic acetylcholine receptors
11. Precise force-field-based calculations of octanol-water partition coefficients for the SAMPL7 molecules
12. Carbapenemase -producing Pseudomonas aeruginosa isolates from Turkey: first report of P. aeruginosa high-risk clones with VIM-5– and IMP-7–type carbapenemases in a tertiary hospital
13. Chemical Investigation of the Calcareous Marine Sponge Pericharax heteroraphis, Clathridine-A Related Derivatives Isolation, Synthesis and Osteogenic Activity
14. Molecular, Genetic, and Biochemical Characterization of OXA-484 Carbapenemase, a Difficult-to-Detect R214G Variant of OXA-181.
15. Discovery of simplified benzazole fragments derived from the marine benzosceptrin B as necroptosis inhibitors involving the receptor interacting protein Kinase-1
16. Structural insight into the formation of lipoprotein-β-barrel complexes
17. Prediction of octanol-water partition coefficients for the SAMPL6-logP molecules using molecular dynamics simulations with OPLS-AA, AMBER and CHARMM force fields
18. Performance evaluation of molecular docking and free energy calculations protocols using the D3R Grand Challenge 4 dataset
19. Genomic characterization of an NDM-9-producing Acinetobacter baumannii clinical isolate and role of Glu152Lys substitution in the enhanced cefiderocol hydrolysis of NDM-9
20. An updated patent review of metallo-β-lactamase inhibitors (2020–2023)
21. Blinded evaluation of cathepsin S inhibitors from the D3RGC3 dataset using molecular docking and free energy calculations
22. Spirolides and Cyclic Imines: Toxicological Profile
23. Chapter 3.2 - Metallo-β-lactamases
24. SAMPL6: calculation of macroscopic pKa values from ab initio quantum mechanical free energies
25. Data from mTOR Inhibition via Displacement of Phosphatidic Acid Induces Enhanced Cytotoxicity Specifically in Cancer Cells
26. Supplementary Figure S6 from mTOR Inhibition via Displacement of Phosphatidic Acid Induces Enhanced Cytotoxicity Specifically in Cancer Cells
27. Supplementary Material from mTOR Inhibition via Displacement of Phosphatidic Acid Induces Enhanced Cytotoxicity Specifically in Cancer Cells
28. Structural and Biochemical Features of OXA-517: a Carbapenem and Expanded-Spectrum Cephalosporin Hydrolyzing OXA-48 Variant
29. How the assembly and protection of the bacterial cell envelope depend on cysteine residues
30. Blinded evaluation of farnesoid X receptor (FXR) ligands binding using molecular docking and free energy calculations
31. Prediction of cyclohexane-water distribution coefficients for the SAMPL5 data set using molecular dynamics simulations with the OPLS-AA force field
32. Class C β-Lactamases: Molecular Characteristics
33. Computational Modeling and Design of New Inhibitors of Carbapenemases: A Discussion from the EPIC Alliance Network
34. Investigation of the complexation of albendazole with cyclodextrins for the design of new antiparasitic formulations
35. Poly(γ-benzyl-l-glutamate)-PEG-alendronate multivalent nanoparticles for bone targeting
36. Bicyclic and tetracyclic diterpenes from a Trichoderma symbiont of Taxus baccata
37. In SilicoSelf-Assembly of Nanoparticles with Applications in Drug Delivery
38. Molecular docking performance evaluated on the D3R Grand Challenge 2015 drug-like ligand datasets
39. A molecular plugin rescues GroEL/ES substrates from pre-folding oxidation
40. Carbonic anhydrase binding site parameterization in OPLS-AA force field
41. Plasma distribution of tetraphenylporphyrin derivatives relevant for Photodynamic Therapy: Importance and limits of hydrophobicity
42. Computational Modeling and Design of New Inhibitors of Carbapenemases : A Discussion from the EPIC Alliance Network
43. Chiral Phosphoric Acid‐Catalyzed Enantioselective Formal [4+2] Cycloaddition Between Dienecarbamates and 2‐Benzothioazolimines
44. New potent human acetylcholinesterase inhibitors in the tetracyclic triterpene series with inhibitory potency on amyloid β aggregation
45. Bêta-lactamases BLSE de type CTX-M
46. KPC-39-Mediated Resistance to Ceftazidime-Avibactam in a Klebsiella pneumoniae ST307 Clinical Isolate
47. Virtual screening of the SAMPL4 blinded HIV integrase inhibitors dataset
48. Prediction of hydration free energies for the SAMPL4 diverse set of compounds using molecular dynamics simulations with the OPLS-AA force field
49. Contributors
50. Spirolides and Cyclic Imines: Toxicological Profile
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