Improved Protein-ligand Binding Affinity Prediction with Structure-Based
Deep Fusion Inference

Improved Protein-ligand Binding Affinity Prediction with Structure-Based Deep Fusion Inference

17 May 2020

Garrett A. Stevenson

Jonathan E. Allen

Papers citing "Improved Protein-ligand Binding Affinity Prediction with Structure-Based Deep Fusion Inference"

14 / 14 papers shown

Title
PyTorch: An Imperative Style, High-Performance Deep Learning Library Adam Paszke Sam Gross Francisco Massa Adam Lerer James Bradbury ... Sasank Chilamkurthy Benoit Steiner Lu Fang Junjie Bai Soumith Chintala ODL 265 42,038 0 03 Dec 2019
Fast Graph Representation Learning with PyTorch Geometric Matthias Fey J. E. Lenssen 3DH GNN 3DPC 169 4,303 0 06 Mar 2019
PotentialNet for Molecular Property Prediction Evan N. Feinberg Debnil Sur Zhenqin Wu B. Husic Huanghao Mai Yang Li Saisai Sun Jianyi Yang Bharath Ramsundar Vijay S. Pande 41 361 0 12 Mar 2018
Visualizing Convolutional Neural Network Protein-Ligand Scoring Joshua E. Hochuli Alec Helbling Tamar Skaist Matthew Ragoza D. Koes FAtt 24 66 0 06 Mar 2018
Development and evaluation of a deep learning model for protein-ligand binding affinity prediction Marta M. Stepniewska-Dziubinska P. Zielenkiewicz P. Siedlecki 28 438 0 19 Dec 2017
Neural Message Passing for Quantum Chemistry Justin Gilmer S. Schoenholz Patrick F. Riley Oriol Vinyals George E. Dahl 295 7,388 0 04 Apr 2017
Atomic Convolutional Networks for Predicting Protein-Ligand Binding Affinity Joseph Gomes Bharath Ramsundar Evan N. Feinberg Vijay S. Pande 44 192 0 30 Mar 2017
TensorFlow: A system for large-scale machine learning Martín Abadi P. Barham Jianmin Chen Zhiwen Chen Andy Davis ... Vijay Vasudevan Pete Warden Martin Wicke Yuan Yu Xiaoqiang Zhang GNN AI4CE 338 18,300 0 27 May 2016
Molecular Graph Convolutions: Moving Beyond Fingerprints S. Kearnes Kevin McCloskey Marc Berndl Vijay S. Pande Patrick F. Riley GNN 113 1,446 0 02 Mar 2016
Deep Residual Learning for Image Recognition Kaiming He Xinming Zhang Shaoqing Ren Jian Sun MedIm 1.4K 192,638 0 10 Dec 2015
Gated Graph Sequence Neural Networks Yujia Li Daniel Tarlow Marc Brockschmidt R. Zemel GNN 275 3,271 0 17 Nov 2015
AtomNet: A Deep Convolutional Neural Network for Bioactivity Prediction in Structure-based Drug Discovery Izhar Wallach Michael Dzamba Abraham Heifets 71 540 0 10 Oct 2015
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 151 3,337 0 30 Sep 2015
P-CNN: Pose-based CNN Features for Action Recognition Guilhem Chéron Ivan Laptev Cordelia Schmid 52 610 0 11 Jun 2015