SHREC 2022: Protein-ligand binding site recognition

3 code implementations • 13 Jun 2022 • Luca Gagliardi, Andrea Raffo, Ulderico Fugacci, Silvia Biasotti, Walter Rocchia, Hao Huang, Boulbaba Ben Amor, Yi Fang, Yuanyuan Zhang, Xiao Wang, Charles Christoffer, Daisuke Kihara, Apostolos Axenopoulos, Stelios Mylonas, Petros Daras

This paper presents the methods that have participated in the SHREC 2022 contest on protein-ligand binding site recognition.

Molecular Docking

DeepSurf: A surface-based deep learning approach for the prediction of ligand binding sites on proteins

2 code implementations • 13 Feb 2020 • Stelios K. Mylonas, Apostolos Axenopoulos, Petros Daras

The knowledge of potentially druggable binding sites on proteins is an important preliminary step towards the discovery of novel drugs.