Prediction of Protein-Ligand Binding Pose and Affinity Using the gREST+FEP Method.

Hiraku Oshima Suyong Re Yuji Sugita

Published in: J. Chem. Inf. Model. (2020)

Keyphrases

pairwise
cost function
high precision
similarity measure
convergence rate
prediction error
contact map
image sequences
objective function
support vector machine
optimization algorithm
prediction model
protein structure prediction
remote homology detection