AIMC Topic: Catalytic Domain

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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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