HIGHLIGHTS
- who: Samo Guzelj and colleagues from the Faculty of Pharmacy, University of Ljubljana, Au0161kercu030ceva cesta, Ljubljana, Slovenia have published the research work: Novel Scaffolds for Modulation of NOD2 Identified by Pharmacophore-Based Virtual Screening, in the Journal: Biomolecules 2022, 12, 1054. of /2022/
- what: The authors implemented homology modeling, molecular docking, and pharmacophore modeling to identify novel structural classes of NOD2 modulators. For the analysis, the variable-dielectric generalized Born model (VSGB) was used as the continuum solvation model and the OPLS4 was used as the force-field. This study has thus shown that strong . . .
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