kinases

mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data

Comparison of active site and full kinase sequences for drug-target affinity prediction and molecular generation. Full paper: https://pubs.acs.org/doi/10.1021/acs.jcim.1c00889

Data and analysis scripts used in Predicting resistance of clinical Abl mutations to targeted kinase inhibitors using alchemical free-energy calculations

A web application to track the kinase research done by the SGC.

A method to predict activating, deactivating and resistance mutations in kinases

This is my Master thesis project. It is about characterizing the roles of kinase residues in the interaction with kinase inhibitors.

Multi-omics kinase target prioritization pipeline for triple-negative breast cancer (TNBC) — CTS scoring across 90 real RTK/NRTK kinases.

Joint Repository of GR Metrics Regression and Kinase Interaction Network (KIN) Clustering

Python pipeline to build empirical kinase networks and identify kinase signalling communities from quantitative phosphoproteomics data.

Interactively visualizing results from multi-dimensional data sets of chemical assay screening

ODE model of cardiac myosin binding protein C (cMyBP-C) phosphorylation in the context of multiple enzymes.

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