Shaun Kandathil

Publications

• Ultrafast end-to-end protein structure prediction enables high-throughput exploration of uncharacterized proteins
• Design in the DARK: Learning Deep Generative Models for De Novo Protein Design
• High precision in protein contact prediction using fully convolutional neural networks and minimal sequence features
• Merizo: a rapid and accurate domain segmentation method using invariant point attention
• Deep learning for the PSIPRED Protein Analysis Workbench
• Prediction of interresidue contacts with DeepMetaPSICOV in CASP13
• Improved fragment-based protein structure prediction by redesign of search heuristics
• A review of the chemistry and pharmacology of the date fruits (Phoenix dactylifera L.)
• Towards a detailed understanding of search trajectories in fragment assembly approaches to protein structure prediction
• Accurate prediction of polarised high order electrostatic interactions for hydrogen bonded complexes using the machine learning method kriging
• Proton tunnelling and promoting vibrations during the oxidation of ascorbate by ferricyanide?
• The prediction of atomic kinetic energies from coordinates of surrounding atoms using kriging machine learning
• Accuracy and tractability of a kriging model of intramolecular polarizable multipolar electrostatics and its application to histidine
• CATH v4.4: major expansion of CATH by experimental and predicted structural data
• Exploring structural diversity across the protein universe with The Encyclopedia of Domains
• Generating, Maintaining, and Exploiting Diversity in a Memetic Algorithm for Protein Structure Prediction
• Using Machine Learning to Explore the Relevance of Local and Global Features During Conformational Search in Rosetta
• Prediction of inter-residue contacts with DeepMetaPSICOV in CASP13
• Deep learning extends de novo protein modelling coverage of genomes using iteratively predicted structural constraints
• Recent developments in deep learning applied to protein structure prediction
• Merizo: a rapid and accurate protein domain segmentation method using invariant point attention
• Ultrafast end-to-end protein structure prediction enables high-throughput exploration of uncharacterised proteins
• A guide to machine learning for biologists
• Reliable Generation of Native-Like Decoys Limits Predictive Ability in Fragment-Based Protein Structure Prediction
• Exploring structural diversity across the protein universe with The Encyclopedia of Domains
• Foldclass and Merizo-search: embedding-based deep learning tools for protein domain segmentation, fold recognition and comparison