25 results on '"Mavromoustakos, Thomas"'
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2. Development of a potent 2-oxoamide inhibitor of secreted phospholipase A2 guided by molecular docking calculations and molecular dynamics simulations
3. Conformational analysis of two novel cytotoxic C2-substituted pyrrolo[2,3-f]quinolines in aqueous media, organic solvents, membrane bilayers and at the putative active site
4. Synthesis, in silico docking experiments of new 2-pyrrolidinone derivatives and study of their anti-inflammatory activity
5. Inhibition of secreted phospholipases A 2 by 2-oxoamides based on α-amino acids: Synthesis, in vitro evaluation and molecular docking calculations
6. Computational design of novel fullerene analogues as potential HIV-1 PR inhibitors: Analysis of the binding interactions between fullerene inhibitors and HIV-1 PR residues using 3D QSAR, molecular docking and molecular dynamics simulations
7. Comparative docking studies of labdane-type diterpenes with forskolin at the active site of adenylyl cyclase
8. Comparative molecular dynamics simulations of the potent synthetic classical cannabinoid ligand AMG3 in solution and at binding site of the CB1 and CB2 receptors
9. A combined NMR and molecular dynamics simulation study to determine the conformational properties of agonists and antagonists against experimental autoimmune encephalomyelitis
10. 3D-Quantitative structure–activity relationships of synthetic antileishmanial ring-substituted ether phospholipids
11. The design and synthesis of a potent angiotensin II cyclic analogue confirms the ring cluster receptor conformation of the hormone angiotensin II
12. Inhibition of secreted phospholipases A2 by 2-oxoamides based on α-amino acids: Synthesis, in vitro evaluation and molecular docking calculations
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