ArticleBioinformatics (Oxford, England)2026
CAD-score-LT: versatile contact area-based comparison of macromolecular structures, interfaces, and binding sites.
Article in Bioinformatics (Oxford, England), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
0 citing papers in PubMed.
No citing paper in PubMed yet.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
1 author.
Funding
Abstract
motivationComparison of macromolecular structural models requires similarity measures that remain informative for complexes, interfaces, and binding sites. Widely used scores emphasize global superposition or distance deviations and are not designed primarily for direct assessment of contact patterns. A fast and flexible contact-area-based alternative is therefore highly relevant.
resultsWe present CAD-score-LT, a high-performance implementation of the Contact Area Difference score (CAD-score) for superposition-free comparison of macromolecular structures. CAD-score-LT evaluates tessellation-derived contact, binding-site, and solvent-accessible surface areas at atom, residue, and chain levels, and supports selective scoring of substructures, interfaces, and binding regions. The software also provides sequence-guided preprocessing, chain remapping, symmetry-adjusted ligand scoring, local scores output, and clustering. Benchmarking against previous CAD-score implementations on CASP16 oligomer model pairs showed near-identical scores but more than one order of magnitude lower running times, with speedups reaching up to 100-fold for whole-structure scoring and 200-fold for inter-chain interface scoring. Case studies in supplementary material demonstrate utility for large-scale model clustering, analysis of protein-nucleic acid interfaces, and evaluation of protein-ligand docking models. AVAILABILITY AND IMPLEMENTATION: A repository with the CAD-score-LT software and the reproducible benchmarking and example workflows is available at https://github.com/kliment-olechnovic/cadscore-lt-supplementary-info and archived at Zenodo https://doi.org/10.5281/zenodo.21983528. The latest CAD-score-LT software is openly available under MIT license as a standalone C++ application at https://www.voronota.com/expansion_lt_cadscore/, and as a Python library at https://pypi.org/project/cadscorelt/.
Indexed as
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.