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Image Search Results
Journal: Frontiers in Cellular and Infection Microbiology
Article Title: Homology Modeling, de Novo Design of Ligands, and Molecular Docking Identify Potential Inhibitors of Leishmania donovani 24-Sterol Methyltransferase
doi: 10.3389/fcimb.2022.859981
Figure Lengend Snippet: Cartoon representation of the structure of the selected Leishmania donovani 24-sterol methyltransferase ( Ld SMT) model (MOD4PNE5).
Article Snippet: The protein sequence of
Techniques:
Journal: Frontiers in Cellular and Infection Microbiology
Article Title: Homology Modeling, de Novo Design of Ligands, and Molecular Docking Identify Potential Inhibitors of Leishmania donovani 24-Sterol Methyltransferase
doi: 10.3389/fcimb.2022.859981
Figure Lengend Snippet: Ramachandran plot of the selected Ld SMT model (MOD4PNE5) obtained via PROCHECK. The percentages of residues in the most favored regions, additionally allowed regions, generously allowed regions, and disallowed regions are 84.9%, 10.3%, 3.5%, and 1.3%, respectively.
Article Snippet: The protein sequence of
Techniques:
Journal: Frontiers in Cellular and Infection Microbiology
Article Title: Homology Modeling, de Novo Design of Ligands, and Molecular Docking Identify Potential Inhibitors of Leishmania donovani 24-Sterol Methyltransferase
doi: 10.3389/fcimb.2022.859981
Figure Lengend Snippet: 2D interaction profile of the Ld SMT–A1 complex as visualized in Discovery Studio.
Article Snippet: The protein sequence of
Techniques:
Journal: Frontiers in Cellular and Infection Microbiology
Article Title: Homology Modeling, de Novo Design of Ligands, and Molecular Docking Identify Potential Inhibitors of Leishmania donovani 24-Sterol Methyltransferase
doi: 10.3389/fcimb.2022.859981
Figure Lengend Snippet: Root mean square deviation (RMSD) plot of 100 ns molecular dynamics (MD) simulations of the Ld SMT–ligand complexes using GROMACS.
Article Snippet: The protein sequence of
Techniques:
Journal: Frontiers in Cellular and Infection Microbiology
Article Title: Homology Modeling, de Novo Design of Ligands, and Molecular Docking Identify Potential Inhibitors of Leishmania donovani 24-Sterol Methyltransferase
doi: 10.3389/fcimb.2022.859981
Figure Lengend Snippet: Molecular mechanics Poisson–Boltzmann surface area (MM-PBSA) plot showing the binding free energy contribution per residue of the Ld SMT–A1 complex.
Article Snippet: The protein sequence of
Techniques: Binding Assay, Residue