Protein-Ligand Scoring with Convolutional Neural Networks

8 December 2016

Papers citing "Protein-Ligand Scoring with Convolutional Neural Networks"

4 / 4 papers shown

Title
FABind+: Enhancing Molecular Docking through Improved Pocket Prediction and Pose Generation Kaiyuan Gao Qizhi Pei Jinhua Zhu Kun He Lijun Wu Lijun Wu 84 6 0 29 Mar 2024
Deep Reinforcement Learning for De-Novo Drug Design Mariya Popova Olexandr Isayev Alexander Tropsha 77 1,025 0 29 Nov 2017
Convolutional Networks on Graphs for Learning Molecular Fingerprints David Duvenaud D. Maclaurin J. Aguilera-Iparraguirre Rafael Gómez-Bombarelli Timothy D. Hirzel Alán Aspuru-Guzik Ryan P. Adams GNN 177 3,337 0 30 Sep 2015
Massively Multitask Networks for Drug Discovery Bharath Ramsundar S. Kearnes Patrick F. Riley D. Webster D. Konerding Vijay S. Pande 91 470 0 06 Feb 2015