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 and the interactions with key residues ...
PDE1 predicted docked poses of compound 1 with ball and stick (cyan ...
Best docking poses of highly active compounds in urease enzyme active ...
The docked poses of compounds 12(R) (top row) and 12(S) (bottom row) in ...
Docked poses of active compounds (A) 2, (B) 3, and (C) 4. The DFG ...
Docked poses of compounds 13, 13m, and 13n (panels (A), (B), and (C ...
Predicted docked conformations of all compounds (2a-2t) inside the ...
The superposition of best docked poses of all target compounds (colored ...
Interaction profile of the best-docked poses for compounds 7, 10, and ...
Docked poses of compounds in their corresponding targets. Poses of two ...
Electrostatic potential surface of predicted docked poses of all ...
(a) Interaction profile of the best-docked poses for compounds 12 ...
Docked poses of compounds 9a, 10: A, B respectively, represent 9a, 10 ...
a) Interaction profile of the best-docked poses for compounds 12 ...
Docked poses and molecular interactions of compounds in binding site of ...
Predicted docked poses for inhibitors within the binding site of TAO ...
The docked poses of compounds 12(S) (top) and 12(R) (bottom) in the ...
Docked poses of compounds (A) 2 (B) 5 and (C) 7 at the active site of ...
Docked poses of the investigated compounds (left) and binding ...
Docked poses of active compounds (A) 6a, and (B) 6k. The DFG sequence ...
The predicted docking poses of P2E major compounds and the x-ray ...
Docked poses of compounds 3a–3c, 5b, 6e and 7b in the active site of E ...
(A) Docked poses of test compounds (E1-E10) in GABA A receptor protein ...
3D & 2D docked poses of compounds of the target 1YLJ. a) 5a docked in ...
Docked poses of the reference XFE (A) and top hit compounds Amritoside ...
(a) Shows the Integration of docked poses of all the Compounds (6F-1A ...
Predicted Glide-SP docking poses of the generation I hit compounds 1 ...
Docking/bioactivity consistency. (A) Highest-ranking docked poses of ...
Top-scored docking poses of compounds E-1c, Z-1c and donepezil in ...
(a) Overlay of the docked pose of compounds 2, 6, 7, 8 and 10 (white ...
Predicted docking poses of MNs 1-4 at the Mpro active site. (A), (C ...
A Docking poses for the top 4 hit compounds with the highest scores ...
Representations of lowest energy docking poses of compounds 1 (A), 7 ...
| Superposition of docking poses of compounds 1a and 2a onto 6-ECDCA ...
(A) Perspective view of the docked orientations of 12 characterised new ...
The best-docked poses of compounds NEA1 (a, green sticks) and NEA3 (b ...
The predicted binding poses from molecular docking. a The surface of ...
Docked poses for compounds 19 (A) and 27 (B) in the HNE active site ...
Different docking poses of the synthesized and proposed compounds on ...
Overlay of docked and x-ray crystal poses of (a) piperacillin and (b ...
2D representation of molecular docking poses of selected hit compounds ...
a, c Three-dimensional docking poses of compounds 3 and 4, respectively ...
Overlay of the best-scored docking poses of some relevant compounds on ...
Best docking poses for protein-ligand binding of compounds 6 (A), 3 ...
(A) (B) (C) Poseview of compounds 7, 9 and 10. (D) Superimposed docked ...
Docking poses of the predicted target–drug pairs using reverse docking ...
Best docking poses of compounds 14a-25a versus co-crystalized ligands ...
Top‐scoring docking poses of compounds A) 1 c and B) 1 f into the ...
The annotation of the predicted docking poses of the ligands depending ...
The docking poses of HS 1-4 at the SPOP active site were predicted ...
Dual inhibitors of urease and carbonic anhydrase-II from ...
Molecular docking results of compound 12. The best docking poses (light ...
(A) Docking poses obtained by docking uracil-based compounds onto cN-II ...
Predicted docking poses for modulatory compounds. A Poses for compound ...
(a) A 3D representation of the docked pose compound acetohydroxamic ...
Key interactions in green dotted lines of the docking poses of ...
Docking pose visualization for the drugs with the best predicted ...
Docking poses for Compounds B1-3 (Panels A-C) and E1-3 (D-F) in the F#1 ...
(a) AHA self-docked into the active site of urease (from S. pasteurii ...
Predicted docking pose of (A) compound 9 (in yellow stick carbon) and ...
Overlay of docked pose (green) and crystallographic pose (orange) for 8 ...
Predicted binding mode of ligand-urease (PDB code: 1e9y): (A) compound ...
Rational design and in vitro testing of new urease inhibitors to ...
Molecular docking models of the key target proteins with the key ...
A Structural Model of the Urease Activation Complex Derived from Ion ...
Frontiers | Functional contacts for activation of urease from ...
Identification of novel bacterial urease inhibitors through molecular ...
C1-INH:hGIIA complex. A Docking poses: predicted conformations of hGIIA ...
Molecular Docking and Molecular Dynamics Simulations of the Urease ...
Figure 2. 2D and 3D docking modes of levofloxacin with Helicobacter ...
Docking structures of M. truncatula urease-urea (a), G. max urease-urea ...
Docking pose: PBP1a (A), Ddl (B), DNA Gyrase (C) and IARS (D) with ...
Superposition of the docking pose (green) and the crystallographic pose ...
(a) 3D and (b) 2D molecular docking results of the selected ...
Insights into the molecular interactions between urease subunit gamma ...
Exploring Novel Pyridine Carboxamide Derivatives as Urease Inhibitors ...
Docking complex of 6 e against Jack bean urease. The ligand structure ...
Computational and experimental investigation of antibacterial and ...
Full article: Urease in acetogenic Lachnospiraceae drives urea carbon ...
Full article: Novel dual-targeting inhibitors of NSD2 and HDAC2 for the ...
Antiurease screening of alkyl chain-linked thiourea derivatives: in ...
Synthesis, characterization, docking study and biological evaluation of ...
Using Machine Learning and Molecular Docking to Leverage Urease ...
Synthesis, Urease Inhibition, Molecular Docking, and Optical Analysis ...
Design, molecular docking and synthesis of novel 5,6-dichloro-2-methyl ...
Accurate calculation of the absolute free energy of binding for drug ...
The structure-based reaction mechanism of urease, a nickel dependent ...
New 5-iodoisatin-thiosemicarbazones: preparation, spectroscopic ...
Sulfonamide derivatives targeting urease: Structural diversity and ...
Full article: In vitro and in silico studies on clinically important ...
New Urea Derivatives as Potential Antimicrobial Agents: Synthesis ...
Full article: Synthesis, molecular modelling, and biological evaluation ...
Table 1 from Using Machine Learning and Molecular Docking to Leverage ...
Urease Test Principle
Full article: Correction
ADCPv11
26.10 Enzymes and Coenzymes - Chemistry LibreTexts
