21 results on '"Borbulevych, Oleg"'
Search Results
2. Locating H atoms: active-site protomer/tautomer state determination using routine macromolecular X-ray diffraction and BUSTER/DivCon
3. High-throughput quantum-mechanics/molecular-mechanics (ONIOM) macromolecular crystallographic refinement withPHENIX/DivCon: the impact of mixed Hamiltonian methods on ligand and protein structure
4. Fast, accurate X-ray density-driven ligand docking on the free energy surface using the MovableType method coupled with Phenix/DivCon
5. Ligand binding mode determination in fragment-based drug discovery using X-ray crystallographic data coupled with QM/MM based refinement: further applications of XModeScore
6. Modern rigorous macromolecular crystallographic refinement using mixed QM/MM functional methods as implemented in DivCon
7. XModeScore: a novel method for accurate protonation/tautomer-state determination using quantum-mechanically driven macromolecular X-ray crystallographic refinement
8. High-performance, quantum mechanics-based macromolecular x-ray refinement
9. Accurate water site determination in macromolecular refinement using 3D-RSIM
10. Accurate macromolecular crystallographic refinement: incorporation of the linear scaling, semiempirical quantum-mechanics programDivConinto thePHENIXrefinement package
11. 2,6-Di-tert-butyl-4-{[2-(1-methyl-1H-benzimidazol-2-yl)phenyl]imino}cyclohexa-2,5-dien-1-one
12. [1-(Benzylsulfonyl)-3-(4-nitrophenyl)-1,2,3,4-tetrahydroquinoxalin-2-yl](4-bromophenyl)methanone 2-methylpropanol hemisolvate
13. 2,6-Di-tert-butyl-4-[(1-methyl-1H-benzimidazol-2-yl)imino]cyclohexa-2,5-dien-1-one
14. 2-Methyl-6-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol
15. N-{2-[(3,5-Di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl}-N-(5,7-dinitroquinolin-8-yl)-1-phenylmethanesulfonamide: the nature of intramolecular shortened contacts
16. Soybean lipoxygenase-3 in complex with 4-nitrocatechol
17. 3-Methyl-1,5-dinitro-9-phenacyl-3-azabicyclo[3.3.1]non-7-en-6-one
18. endo-6,syn-7-Dichloro-exo-6-phenylsulfonylbicyclo[3.1.1]heptane
19. Redetermination ofN,N-dimethyl-N-{4-[(E)-(4-methyl-3-nitrophenyl)diazenyl]phenyl}amine at 193 K: another example of dynamic disorder of substituted azobenzene compounds
20. 2-Amino derivatives of 5-nitrophenylacetamide
21. 2-Amino derivatives of 5-nitrophenylacetamide
Catalog
Books, media, physical & digital resources
Discovery Service for Jio Institute Digital Library
For full access to our library's resources, please sign in.