Author

D. Zelencova-Gopejenko

2 papers indexed here

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Oct 2026

Drug-Like, Shape Profiling and Diversity Assessment of the Molport in-Stock Compound Database

Publicly accessible compound repositories are essential for virtual screening and hit identification, but their continuous growth brings inconsistent structure representations, reactive groups, and a computational burden from standardizing millions of entries. Many repositories also contain outdated or out-of-stock c...

A. Altieri, Normunds Kinne, A. Auzins et al. · Journal of Chemical Informat... · 0 citations

Open access Aug 2026

Deconstruction of Aspartic Protease Inhibitors Enables Fragment‐Based Discovery of Plasmepsin V Inhibitors

A structure‐informed, deconstruction‐based approach is applied to identify non‐peptidomimetic PMV inhibitors by mining catalytic dyad‐binding motifs from experimentally solved aspartic protease–inhibitor complexes and assembling a focused fragment‐like library.

M. Skvorcova, Laura Ruduša, D. Zelencova-Gopejenko et al. · ChemMedChem · 0 citations