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Bioinformatics

7 items

RESEARCHarXiv CS.LG·22d ago

Reading the Cell, Designing the Cure: Perturbation-Conditioned Molecular Diffusion for Function-Oriented Drug Design

This research introduces Transcriptome-based Drug Design (TBDD) as a generative inverse problem to design drug molecules conditioned on desired transcriptomic state transitions. It proposes "ACURE" (A Cellular Response Engine), a multi-resolution transcriptome-guided diffusion framework, to address the challenges of this complex task.

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RESEARCHarXiv CS.LG·27d ago

Structural Interpretations of Protein Language Model Representations via Differentiable Graph Partitioning

This research proposes a framework to interpret protein language model representations by projecting them onto protein contact graphs and applying SoftBlobGIN, a Graph Isomorphism Network. This method performs structure-aware message passing to learn functional substructures, achieving 92.8% accuracy in enzyme classification and providing auditable structural explanations.

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RESEARCHarXiv CS.AI·4/22/2026

On Solving the Multiple Variable Gapped Longest Common Subsequence Problem

This paper tackles the Variable Gapped Longest Common Subsequence (VGLCS) problem, a generalization of LCS with flexible gap constraints, relevant to molecular sequence comparison and time-series analysis. It proposes a root-based state graph search framework combined with an iterative beam search strategy to manage combinatorial explosion and find high-quality solutions.

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