QUBO Problem Formulation of Fragment-Based Protein-Ligand Flexible Docking.

Keisuke Yanagisawa Takuya Fujie Kazuki Takabatake Yutaka Akiyama

Published in: Entropy (2024)

Keyphrases

drug design
drug discovery
virtual screening
protein protein
lightweight
protein structure
amino acids
neural network
protein structure prediction
protein protein interactions
protein sequences
high throughput
data sets
protein function
predicting protein
lower bound
mass spectrometry data
remote homology detection