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GitHub / 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

JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/kehauser%2FPredicting-resistance-of-clinical-Abl-mutations-to-targeted-kinase-inhibitors-using-FEP

Stars: 3
Forks: 0
Open Issues: 1

License: None
Language:
Repo Size: 6.04 MB
Dependencies: pending

Created: over 6 years ago
Updated: over 2 years ago
Last pushed: about 6 years ago
Last synced: 10 months ago

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

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