#

kinases

Here are 10 public repositories matching this topic...

PaccMann / paccmann_kinase_binding_residues

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

machine-learning knn protein-ligand-interactions kinases active-sites proteochemometrics

Updated Oct 3, 2022
Python

mdciao

gph82 / mdciao

mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data

python structural-biology protein-structure molecular-dynamics computational-chemistry amino-acids kinases pdb-database gpcr gpcr-numbering

Updated Oct 28, 2024
Python

kehauser / Predicting-resistance-of-clinical-Abl-mutations-to-targeted-kinase-inhibitors-using-FEP

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

molecular-dynamics molecular-dynamics-simulation drug-discovery drug-repurposing kinase-activity-predictions biotechnology drug-protein-interactions drug-resistance free-energy-perturbation kinases mmgbsa kinase-inhibitors

Updated Apr 25, 2018

bobbylight / random-acts-of-kinase

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

webpack spring-boot vuejs2 compounds kinases kinase smiles-strings

Updated Mar 5, 2023
Java

veren4 / Kinase_residue_classification

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

bioinformatics research shiny proteomics biotechnology kinases

Updated Aug 24, 2020
R

FinnOD / mappings

python bioinformatics network-analysis kinases

Updated Feb 16, 2023
Python

russelllab / kinaseResistance

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

flask machine-learning bioinformatics mutations hidden-markov-model drug-resistance kinases random-forest-classifier activating-mutations

Updated May 1, 2024
JavaScript

gomezlab / kinotypeClusteringAndRegression

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

systems-biology proteomics protein-protein-interaction graph-clustering kinome kinases phenotype-prediction

Updated Apr 3, 2020
Jupyter Notebook

tjeng / high_throughput_screening

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

drugs compounds clusters kinases assays

Updated Apr 11, 2020

celiaccb / KinasesCommunityDetection

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

community-detection phosphoproteomics kinases cell-signalling ksea

Updated Apr 24, 2024
HTML

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