Douglas Bruce Kell

The paper presents a Xenopus oocyte-based platform to discover transporter substrates using untargeted metabolomics, identifying known and novel substrates for five human SLC transporters.

This study uses imaging flow cytometry to quantify platelet-monocyte aggregates in Long COVID patients and healthy controls, finding significantly elevated levels and altered attachment patterns in patients.

This study identifies distinct post-translational modifications in fibrinaloid microclots across Pre-COVID-19 POTS, Long COVID, and LC-POTS, revealing disease-specific molecular pathways.

The paper identifies three membrane proteins in E. coli that mediate colistin's bactericidal effects, showing their role in the cytotoxic pathway following polymyxin membrane disruption.

AmyloGram identifies amyloid-forming potential in thrombus proteomes, showing high scores for both known amyloidogenic proteins and proteins from stroke thrombi.

The paper uses flow cytometry to identify drugs that rapidly kill Gram-negative bacteria by targeting cell membranes, finding that Pantoprazole, Theophylline, and Zoledronic acid have cytotoxic effects.

The paper investigates whether clot proteomes can predict amyloidogenicity in disease-associated clots and identifies potential biomarkers.

The paper evaluates hyperparameter optimization in differential evolution using a novel objective function and compares machine learning approaches with grid search and other optimizers.

The paper describes an automated method to measure fibrinaloid microclots and shows nattokinase degrades them in vitro.

The paper provides proteomic evidence that fibrinaloid microclots involve cross-seeding of non-fibrin proteins into amyloid structures, suggesting a complex mechanism beyond simple entrapment.

MassGenie uses a transformer-based deep learning model to predict small molecule structures from mass spectra, achieving accurate results without explicit fragmentation rules.

The paper assesses structural similarities between common fluorophores and drugs, metabolites, and natural products, finding significant overlaps in chemical space.

This paper introduces DeepGraphMol, a method using graph convolution and reinforcement learning to generate molecules with desired properties, such as binding to dopamine transporters while avoiding norepinephrine binding.

The paper introduces the Gini coefficient as a method to select stable reference genes for normalizing expression data, showing it outperforms traditional methods across multiple datasets.

The paper shows that Parkinson's disease is associated with systemic inflammation and bacterial proteases, linking them to hypercoagulation and proinflammatory cytokines.

The paper shows that LBP prevents fibrin from adopting an amyloid form induced by LPS, suggesting a link between microbial products and Parkinson’s disease.

PartsGenie is a tool for designing and sharing synthetic biology parts, integrating optimization, data standards, and repository access.

Selenzyme is an online tool that helps select enzymes for metabolic pathway design by analyzing sequence, reaction, and organism-related data.

The paper introduces a web service for automatic metabolic reaction balancing, enabling interoperability across systems biology tools by exposing the functionality as a RESTful API.

The paper uses the Gini coefficient to analyze transporter gene expression heterogeneity in human tissues and cell lines, identifying novel housekeeping genes and highlighting specialisation trends.

The paper compares molecular fingerprint encodings of drugs and natural products to assess structural similarities and identifies natural products as key drug transporter substrates.

This paper introduces a method to improve sequence alignment efficiency by using compressed numerical representations, achieving faster alignment without sacrificing accuracy.