161 results on '"Iorga, Bogdan I."'
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2. Pseudomonasaeruginosa antimicrobial susceptibility profiles, resistance mechanisms and international clonal lineages: update from ESGARS-ESCMID/ISARPAE Group
3. Evaluation of borinic acids as new, fast hydrogen peroxide–responsive triggers
4. Synthetic Pinnatoxins A and G Reversibly Block Mouse Skeletal Neuromuscular Transmission In Vivo and In Vitro.
5. Chemical Investigation of the Calcareous Marine Sponge Pericharax heteroraphis, Clathridine-A Related Derivatives Isolation, Synthesis and Osteogenic Activity
6. Cyclic imine toxins from dinoflagellates: a growing family of potent antagonists of the nicotinic acetylcholine receptors
7. Precise force-field-based calculations of octanol-water partition coefficients for the SAMPL7 molecules
8. Chemical Investigation of the Calcareous Marine Sponge Pericharax heteroraphis, Clathridine-A Related Derivatives Isolation, Synthesis and Osteogenic Activity
9. Molecular, Genetic, and Biochemical Characterization of OXA-484 Carbapenemase, a Difficult-to-Detect R214G Variant of OXA-181.
10. Prediction of octanol-water partition coefficients for the SAMPL6-logP molecules using molecular dynamics simulations with OPLS-AA, AMBER and CHARMM force fields
11. Performance evaluation of molecular docking and free energy calculations protocols using the D3R Grand Challenge 4 dataset
12. Genomic characterization of an NDM-9-producing Acinetobacter baumannii clinical isolate and role of Glu152Lys substitution in the enhanced cefiderocol hydrolysis of NDM-9
13. Blinded evaluation of cathepsin S inhibitors from the D3RGC3 dataset using molecular docking and free energy calculations
14. SAMPL6: calculation of macroscopic pKa values from ab initio quantum mechanical free energies
15. Structural and Biochemical Features of OXA-517: a Carbapenem and Expanded-Spectrum Cephalosporin Hydrolyzing OXA-48 Variant
16. How the assembly and protection of the bacterial cell envelope depend on cysteine residues
17. Blinded evaluation of farnesoid X receptor (FXR) ligands binding using molecular docking and free energy calculations
18. Prediction of cyclohexane-water distribution coefficients for the SAMPL5 data set using molecular dynamics simulations with the OPLS-AA force field
19. Class C β-Lactamases: Molecular Characteristics
20. Computational Modeling and Design of New Inhibitors of Carbapenemases: A Discussion from the EPIC Alliance Network
21. Molecular docking performance evaluated on the D3R Grand Challenge 2015 drug-like ligand datasets
22. Computational Modeling and Design of New Inhibitors of Carbapenemases : A Discussion from the EPIC Alliance Network
23. KPC-39-Mediated Resistance to Ceftazidime-Avibactam in a Klebsiella pneumoniae ST307 Clinical Isolate
24. Virtual screening of the SAMPL4 blinded HIV integrase inhibitors dataset
25. Prediction of hydration free energies for the SAMPL4 diverse set of compounds using molecular dynamics simulations with the OPLS-AA force field
26. Detection and Characterization of VIM-52, a New Variant of VIM-1 from a Klebsiella pneumoniae Clinical Isolate
27. Detection and characterization of VIM-52, a new variant of VIM-1 from clinical isolate
28. Evaluation of docking performance in a blinded virtual screening of fragment-like trypsin inhibitors
29. Prediction of hydration free energies for aliphatic and aromatic chloro derivatives using molecular dynamics simulations with the OPLS-AA force field
30. Pyridinium Derivatives Of 3-Aminobenzenesulfonamide Are Nanomolar-Potent Inhibitors Of Tumor-Expressed Carbonic Anhydrase Isozymes Ca Ix And Ca Xii
31. Pyridinium derivatives of 3-aminobenzenesulfonamide are nanomolar-potent inhibitors of tumor-expressed carbonic anhydrase isozymes CA IX and CA XII
32. Defining the function of OmpA in the Rcs stress response
33. How the assembly and protection of the bacterial cell envelope depend on cysteine residues
34. NMR Characterization of the Influence of Zinc(II) Ions on the Structural and Dynamic Behavior of the New Delhi Metallo-β-Lactamase-1 and on the Binding with Flavonols as Inhibitors
35. Role of Arginine 214 in the Substrate Specificity of OXA-48
36. Prediction of octanol-water partition coefficients for the SAMPL6-$$\log P$$ molecules using molecular dynamics simulations with OPLS-AA, AMBER and CHARMM force fields
37. Biochemical and Structural Characterization of OXA-405, an OXA-48 Variant with Extended-Spectrum β-Lactamase Activity
38. mTOR Inhibition via Displacement of Phosphatidic Acid Induces Enhanced Cytotoxicity Specifically in Cancer Cells
39. Blinded evaluation of cathepsin S inhibitors from the D3RGC3 dataset using molecular docking and free energy calculations
40. Genetic and Biochemical Characterization of OXA-519, a Novel OXA-48-Like β-Lactamase
41. Characterization of BRP MBL , the Bleomycin Resistance Protein Associated with the Carbapenemase NDM
42. Ligandbook: an online repository for small and drug-like molecule force field parameters
43. Beta-lactamase database (BLDB) – structure and function
44. Selectivity of Spiroimine Phycotoxins Toward Nicotinic Acetylcholine Receptors
45. Interplay between the hinge region of iron sulphur protein and the Qo site in the bc1 complex — Analysis of Plasmodium-like mutations in the yeast enzyme
46. SAMPL6: calculation of macroscopic pKa values from ab initio quantum mechanical free energies.
47. Prorocentrolide-A from Cultured Prorocentrum lima Dinoflagellates Collected in Japan Blocks Sub-Types of Nicotinic Acetylcholine Receptors.
48. Blinded evaluation of farnesoid X receptor (FXR) ligands binding using molecular docking and free energy calculations.
49. Saccharomyces cerevisiae-Based Mutational Analysis of the bc 1 Complex Q o Site Residue 279 To Study the Trade-Off between Atovaquone Resistance and Function
50. NADH oxidase activity of Bacillus subtilis nitroreductase NfrA1: Insight into its biological role
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