Download

Home
Queue
Help
Publication
Download
Contact

PDB ID	Protein Name	Binding Affinity (kcal/mol)	Database	Download

About

A webserver for predicting protein-ligand binding affinities by the popular end-point MMGBSA method based on a variable dielectric model in which the optimal atomic dielectric constants are trained by XGBoost regression with 87 descriptors.

Hou's Lab

Homepage

PharmacoKinetics Knowledge Base

farPPI

HawkDock

Calculation of Free Energy

Drug-logS

MORT

Contact Us

Tingjun Hou / Dan Li

College of Pharmaceutical Sciences
Zhejiang University, Hangzhou, Zhejiang 310058, China
Phone: +86-571-88208412

Home Help Contact Back to Top