drug-protein-interactions

There are 1 repository under drug-protein-interactions topic.

awesome-molecular-docking
Thinklab-SJTU / awesome-molecular-docking
We would like to maintain a list of resources which aim to solve molecular docking and other closely related tasks.
ai-aided-drug-discovery awesome drug-discovery molecular-docking paper-list bioinformatics machine-learning protein-protein-interaction molecular-dynamics binding generative-model drug-design equivariant-representations drug-protein-interactions geometric-deep-learning awesome-list deep-learning optimal-transport protein-ligand-docking drugai
87
beyondpie / GIFT
An algorithm called GIFT to infer the chemogenomic information based on drug-protein interactions
drug-protein-interactions bioinformatics chemoinformatics chemical-substructures
Language:C++ 3
bionlplab / drugprot_biocreative_vii2021
CU-UD: text-mining drug and chemical-protein interactions with ensembles of BERT-based models
bert drug-protein-interactions ensemble-learning relation-extraction
Language:Python 3
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
amanzadi / PSE
An easy-to-use Deep Learning tool for Polypharmacy Side Effect prediction.
bioinformatics deep-learning drug-discovery drug-drug-interaction drug-protein-interactions graph-neural-networks polypharmacy side-effects ddi drug-pair gcn smiles
Language:Jupyter Notebook