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Author

P. Panda

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Open access Aug 2026

Structural Context Determines Docking Engine Performance: A Family-Stratified Benchmark of Six Engines

Molecular docking and co-folding engines are widely used to prioritize compounds for wet-lab validation, yet their accuracy is known to vary substantially across protein targets for reasons that remain only qualitatively understood. Here we benchmark six docking and co-folding engines (RevDock, DiffDock, Boltz2, AutoDo...

Kristoffer Alejo, Sarah Fisher, Tejaswan Kalluri et al. · 0 citations
Open access Aug 2026

PandaMap: A Python Package for Comprehensive Visualization of Protein–Ligand Interaction Networks

Protein–ligand interaction diagrams are a routine part of structural and medicinal chemistry, but the tools that produce them tend to force a choice: comprehensive detection with tabular output, publication-quality figures behind a licence, or a scripting environment that assumes expertise. PandaMap (Protein AND ligAnd...

P. Panda · 0 citations

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