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Predicting Protein-Ligand Docking Structure with Graph Neural Network.
Huaipan Jiang
Jian Wang
Weilin Cong
Yihe Huang
Morteza Ramezani
Anup Sarma
Nikolay V. Dokholyan
Mehrdad Mahdavi
Mahmut T. Kandemir
Published in:
J. Chem. Inf. Model. (2022)
Keyphrases
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neural network
predicting protein
graph structure
secondary structure
machine learning
random walk
graph theoretic
data mining
self organizing maps
high precision
graph theory
computational methods
biological data
protein protein interactions
protein interaction networks