kinase-inhibitors

There are 0 repository under kinase-inhibitors topic.

karanicolaslab / combichem
Virtual screening approach for fragments selection and merging to lead-like compounds
drug-discovery fbdd kinase-inhibitors
Language:Python 11
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
biotechnology molecular-dynamics molecular-dynamics-simulation free-energy-perturbation mmgbsa kinases kinase-activity-predictions kinase-inhibitors drug-discovery drug-repurposing drug-resistance drug-protein-interactions
3
Jon-Ting / molecular-modelling-of-reversible-covalent-inhibition-of-brutons-tyrosine-kinase-by-cyanoacrylamides
:zap: A repository containing research outputs from my computational chemistry Honours project.
covalent-ligand drug-design drug-discovery kinase kinase-inhibitors molecular-biology molecular-dynamics molecular-dynamics-simulation molecular-modeling molecular-modelling quantum-chemistry quantum-mechanics brutons-tyrosine-kinase covalent-drug cyanoacrylamide
Language:Python 0