AIMC Topic: Catalytic Domain

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SCREEN: A Graph-based Contrastive Learning Tool to Infer Catalytic Residues and Assess Enzyme Mutations.

Genomics, proteomics & bioinformatics Jan 15, 2025
The accurate identification of catalytic residues contributes to our understanding of enzyme functions in biological processes and pathways. The increasing number of protein sequences necessitates computational tools for the automated prediction of c...
Humans Neural Networks, Computer Machine Learning Software Computational Biology Mutation Catalytic Domain Enzymes
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Int&in: A machine learning-based web server for active split site identification in inteins.

Protein science : a publication of the Protein Society Jun 1, 2024
Inteins are proteins that excise themselves out of host proteins and ligate the flanking polypeptides in an auto-catalytic process called protein splicing. In nature, inteins are either contiguous or split. In the case of split inteins, the two fragm...
Machine Learning Software Internet Catalytic Domain Inteins Protein Splicing
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Integrated machine learning, molecular docking and 3D-QSAR based approach for identification of potential inhibitors of trypanosomal N-myristoyltransferase.

Molecular bioSystems Nov 15, 2016
N-Myristoyltransferase (NMT) catalyzes the transfer of myristate to the amino-terminal glycine of a subset of proteins, a co-translational modification involved in trafficking substrate proteins to membrane locations, stabilization and protein-protei...
Machine Learning Algorithms Molecular Docking Simulation Protein Binding Workflow Molecular Dynamics Simulation Enzyme Inhibitors Datasets as Topic Catalytic Domain Parasitic Sensitivity Tests Quantitative Structure-Activity Relationship Binding Sites Trypanocidal Agents Acyltransferases
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Alignment-Free Methods for the Detection and Specificity Prediction of Adenylation Domains.

Methods in molecular biology (Clifton, N.J.) Jan 1, 2016
Identifying adenylation domains (A-domains) and their substrate specificity can aid the detection of nonribosomal peptide synthetases (NRPS) at genome/proteome level and allow inferring the structure of oligopeptides with relevant biological activiti...
Software Bacteria Proteomics Support Vector Machine Workflow Models, Biological Catalytic Domain Substrate Specificity Computer Graphics Protein Structure, Tertiary Peptide Synthases
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