Author

Kristoffer Alejo

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

Click to filter author papers

Biochemistry· 2

Signature Assays, Organisms & Methods

Click to filter · or open tag

Approach:deep learning· 2 Assay:protein structure· 2 Research Focus:benchmarking· 1 Research Focus:drug response / drug discovery· 1 Approach:statistical model· 1

Frequent Co-Authors

Christian ChungiD· 2 shared Christopher KorbaniD· 2 shared Balkrushna More· 1 shared Hrishikesh Rajgure· 1 shared Pritam Kumar PandaiD· 1 shared Sarah FisheriD· 1 shared Tejaswan Kalluri· 1 shared

Activity by Year

2026-2026 · peak 2/yr

Co-Author Collaboration Network

7 top collaborators · 21 mutual co-author links

Click any collaborator node to inspect or filter shared papers

Focal author (center)Selected co-authorORCID co-authorUnlinked name

Curved chords = mutual co-authorship

2 shared papersBiochemistry

Christian ChungORCID

Mutual co-authors in cluster

Author profile →

2 papers

Recent·Most cited

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

Kristoffer Alejo, Sarah Fisher, Tejaswan Kalluri, Balkrushna More, Hrishikesh Rajgure, Pritam Kumar Panda, Christopher Korban, Christian Chung

This paper benchmarks six molecular docking and co-folding engines across 14 protein families, finding that engine performance depends on structural and physical characteristics of the target.

bioRxiv · Aug 11, 2026 · PreprintBiochemistry

Computational Lead Optimization on BACE1: Relative Binding Free Energy Perturbation as the Terminal Refinement Layer

Kristoffer Alejo, Christopher Korban, Christian Chung

This study benchmarks five computational methods for BACE1 drug discovery, finding that RevFEP best correlates with experimental binding free energies.

bioRxiv · Jul 8, 2026 · PreprintBiochemistry