DeepBindPoc : a deep learning method to rank ligand binding pockets using molecular vector representation

• Main Authors: Zhang, Haiping, Saravanan, Konda Mani, Lin, Jinzhi, Liao, Linbu, Ng, Justin Tze-Yang, Zhou, Jiaxiu, Wei, Yanjie
• Other Authors: School of Biological Sciences
• Format: Article
• Language: English
• Published: 2020
• Subjects: Science::Biological sciences; Ligand Pocket Identification; Deep Neural Network
• Online Access: https://hdl.handle.net/10356/145360
• Institution: Nanyang Technological University

Accurate identification of ligand-binding pockets in a protein is important for structure-based drug design. In recent years, several deep learning models were developed to learn important physical-chemical and spatial information to predict ligand-binding pockets in a protein. However, ranking the...