Predicted docked poses of urease with compounds (green color) 10, 12 ...
Docked poses of compounds 1 and 2 (sticks with green color) and their ...
The predicted docked poses of CAII with compounds (3, 9, 20, 21, 26 ...
Docked poses of compounds 2, 4, 6, 7, 8, 10, 11 and 13 (Yellow dashes ...
Docked poses of compounds and the interactions with key residues ...
Best docking poses of highly active compounds in urease enzyme active ...
The 3D structure of urease is presented in complex with the docked ...
Docked pose of compound a) 6, b) 7, c) 9, d) 10, e) 11, f) 12 and g) 13 ...
(a) Interaction profile of the best-docked poses for compounds 12 ...
a) Interaction profile of the best-docked poses for compounds 12 ...
Docked poses of active compounds (A) 2, (B) 3, and (C) 4. The DFG ...
Electrostatic potential surface of predicted docked poses of all ...
(A) Docked pose of compound 3c (green color) represented as tube in the ...
The docked poses of compounds 12(R) (top row) and 12(S) (bottom row) in ...
Interaction profile of the best-docked poses for compounds 7, 10, and ...
Docked poses and molecular interactions of compounds in binding site of ...
Docked poses of compounds 13, 13m, and 13n (panels (A), (B), and (C ...
The superposition of best docked poses of all target compounds (colored ...
Predicted docked conformations of all compounds inside the binding ...
Docked pose of two compounds with IF-CsSBAT and OF-CsSBAT following the ...
Docked poses of the investigated compounds (left) and binding ...
The docked poses of compounds 12(S) (top) and 12(R) (bottom) in the ...
Docked poses of compounds in their corresponding targets. Poses of two ...
Docked poses of active compounds (A) 6a, and (B) 6k. The DFG sequence ...
Comparison of the X-ray structure of compound 1 with its docked pose a ...
(A) (B) (C) Poseview of compounds 7, 9 and 10. (D) Superimposed docked ...
(a) Overlay of the docked pose of compounds 2, 6, 7, 8 and 10 (white ...
Modes of interaction of compound 1 with urease enzyme. a 2D Ligand ...
| Overlay of docked pose of selected compounds on to the bound pose of ...
The docking poses of HS 1-4 at the SPOP active site were predicted ...
Docked poses for the most active molecules from each of the four ...
3 D and 2 D docking poses and superimposed interactions of compounds ...
(A) The top ranked docked pose of compound 10, which is an example of ...
Docking poses of the predicted target–drug pairs using reverse docking ...
The molecular dynamic simulation study of docked complex 5k with ...
Comparison of docked poses of (a) 1 (green) and SG8 (orange), and (b) 3 ...
Top-scored docking poses of compounds E-1c, Z-1c and donepezil in ...
Molecular interactions of the docked poses of compound 10 (bright ...
| Superposition of docking poses of compounds 1a and 2a onto 6-ECDCA ...
Predicted docking poses of MNs 1-4 at the Mpro active site. (A), (C ...
Docking poses of certain compounds and target proteins. | Download ...
RMSF of the urease backbone in complexed with thiourea (in green) and ...
Full article: In silico studies of urease inhibitors to explore ligand ...
(a) AHA self-docked into the active site of urease (from S. pasteurii ...
Molecular docking results of compound 12. The best docking poses (light ...
3D alignment of best docked pose (Green) and crystallographic pose of ...
Overlay of docked pose (green) and crystallographic pose (orange) for 8 ...
Docked pose of compound MM4 (red), MM9 (green), MM10 (blue) and ...
(A) Docking poses obtained by docking uracil-based compounds onto cN-II ...
(A) Compound 10 predicted docking pose. (B) Ligand interaction of ...
Re-docking of the EVP (green) and its docked pose (yellow). | Download ...
A comparison between the docked pose of compound 4 (in green for 2 D ...
a Superimposed of docking position of all compounds in the active site ...
(Left) Docking pose of compounds f2 (green) and f3 (red) in the active ...
Docked Ligand interaction in the active site of JBU. Binding pose of ...
Docking pose visualization for the drugs with the best predicted ...
Docked pose of compound MM6 (green), MM10 (blue) and PD318098 (yellow ...
Docked pose of compound MM4 (red), MM9 (green), MM10 (blue), and ...
(a) A 3D representation of the docked pose compound acetohydroxamic ...
Design strategy of and docked pose of desired compounds. 5 (green), 7b ...
2D docking pose of compound 10 with the key amino acids within the ...
2D representation of the docked pose of the significantly active ...
Molecular Docking and Molecular Dynamics Simulations of the Urease ...
Docking poses for Compounds B1-3 (Panels A-C) and E1-3 (D-F) in the F#1 ...
Predicted binding mode of ligand-urease (PDB code: 1e9y): (A) compound ...
Three-dimensional (3D) interactions of compounds 7, 20, 29, 30, and 31 ...
Figure 2. 2D and 3D docking modes of levofloxacin with Helicobacter ...
A Novel Urease Inhibitor of Ruminal Microbiota Screened through ...
Synthesis and Molecular Docking Studies of Potent Urease Inhibitors ...
A) Superposition of the docked (colored by atom type) and... | Download ...
Docking structures of M. truncatula urease-urea (a), G. max urease-urea ...
Superposition of the docking pose (green) and the crystallographic pose ...
Cross-docking results of the query compound 10b (PDB ID 4zzx, crystal ...
The best docking pose of (A) compound 21 in nNOS; (B) compound 26 in ...
Superposition of the re-docking pose (green) and the original complexed ...
(a) 3D and (b) 2D molecular docking results of the selected ...
Docking pose showing molecular interactions between compounds from C ...
The docking pose of compound 10 among α-Gly residues. | Download ...
Molecular Modeling and In Vitro Evaluation of Thioureas and ...
Using Machine Learning and Molecular Docking to Leverage Urease ...
Combination of Docking-Based and Pharmacophore-Based Virtual Screening ...
Synthesis, Urease Inhibition, Molecular Docking, and Optical Analysis ...
The interactions of 5-pentylresorcinol and urease. Green dashed lines ...
Full article: Urease in acetogenic Lachnospiraceae drives urea carbon ...
Synthesis, Urease Inhibition, Antioxidant, Antibacterial, and Molecular ...
Antiurease screening of alkyl chain-linked thiourea derivatives: in ...
Evolution of Macromolecular Docking Techniques: The Case Study of ...
Predicted pose from docking analysis showed the binding orientation map ...
Sulfonamide derivatives targeting urease: Structural diversity and ...
New 5-iodoisatin-thiosemicarbazones: preparation, spectroscopic ...
Structure-based pose prediction: Non-cognate docking extended to ...
New Urea Derivatives as Potential Antimicrobial Agents: Synthesis ...
