Atomic Convolutional Networks for Predicting Protein-Ligand Binding
Affinity

Atomic Convolutional Networks for Predicting Protein-Ligand Binding Affinity

30 March 2017

Bharath Ramsundar

Evan N. Feinberg

Papers citing "Atomic Convolutional Networks for Predicting Protein-Ligand Binding Affinity"

19 / 19 papers shown

Title
Open Source Infrastructure for Differentiable Density Functional Theory Advika Vidhyadhiraja Arun Pa Thiagarajan Shang Zhu Venkat Viswanathan Bharath Ramsundar 27 0 0 27 Sep 2023
Learning Neural Set Functions Under the Optimal Subset Oracle Zijing Ou Tingyang Xu Qinliang Su Yingzhen Li P. Zhao Yatao Bian BDL 18 9 0 03 Mar 2022
Learning to Discover Medicines T. Nguyen Thin Nguyen T. Tran 34 1 0 14 Feb 2022
Improved Protein-ligand Binding Affinity Prediction with Structure-Based Deep Fusion Inference Derek Jones Hyojin Kim Xiaohua Zhang A. Zemla Garrett A. Stevenson W. D. Bennett D. Kirshner Sergio E. Wong F. Lightstone Jonathan E. Allen AI4CE 15 190 0 17 May 2020
Explainable Deep Relational Networks for Predicting Compound-Protein Affinities and Contacts Mostafa Karimi Di Wu Zhangyang Wang Yang Shen 27 46 0 29 Dec 2019
Energy-based Graph Convolutional Networks for Scoring Protein Docking Models Yue Cao Yang Shen 11 45 0 28 Dec 2019
DeepAtom: A Framework for Protein-Ligand Binding Affinity Prediction Yanjun Li M. Rezaei Chenglong Li Xiaolin Li D. Wu 3DV 22 61 0 01 Dec 2019
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models Daniil Polykovskiy Alexander Zhebrak Benjamín Sánchez-Lengeling Sergey Golovanov Oktai Tatanov ... Simon Johansson Hongming Chen Sergey I. Nikolenko Alán Aspuru-Guzik Alex Zhavoronkov ELM 197 633 0 29 Nov 2018
DeepAffinity: Interpretable Deep Learning of Compound-Protein Affinity through Unified Recurrent and Convolutional Neural Networks Mostafa Karimi Di Wu Zhangyang Wang Yang Shen 35 358 0 20 Jun 2018
Visualizing Convolutional Neural Network Protein-Ligand Scoring Joshua E. Hochuli Alec Helbling Tamar Skaist Matthew Ragoza D. Koes FAtt 16 65 0 06 Mar 2018
Edge Attention-based Multi-Relational Graph Convolutional Networks Chao Shang Qinqing Liu Ko-Shin Chen Jiangwen Sun Jin Lu Jinfeng Yi J. Bi GNN 35 93 0 14 Feb 2018
Adaptive Graph Convolutional Neural Networks Ruoyu Li Sheng Wang Feiyun Zhu Junzhou Huang GNN 26 746 0 10 Jan 2018
Metadynamics for Training Neural Network Model Chemistries: a Competitive Assessment John E. Herr Kun Yao R. McIntyre David W Toth John A. Parkhill 20 63 0 19 Dec 2017
A trans-disciplinary review of deep learning research for water resources scientists Chaopeng Shen AI4CE 33 682 0 06 Dec 2017
Ligand Pose Optimization with Atomic Grid-Based Convolutional Neural Networks Matthew Ragoza Lillian Turner D. Koes 32 16 0 20 Oct 2017
Learning Graph-Level Representation for Drug Discovery Junying Li Deng Cai Xiaofei He GNN AI4CE 26 115 0 12 Sep 2017
Learning Graph While Training: An Evolving Graph Convolutional Neural Network Ruoyu Li Junzhou Huang GNN 30 7 0 10 Aug 2017
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 245 1,780 0 02 Mar 2017
Google's Neural Machine Translation System: Bridging the Gap between Human and Machine Translation Yonghui Wu M. Schuster Z. Chen Quoc V. Le Mohammad Norouzi ... Alex Rudnick Oriol Vinyals G. Corrado Macduff Hughes J. Dean AIMat 716 6,746 0 26 Sep 2016