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AtomNet PoseRanker: Enriching Ligand Pose Quality for Dynamic Proteins in Virtual High-Throughput Screens

Kate A. Stafford, Brandon M. Anderson, Jon Sorenson, and Henry van den Bedem*

https://pubs.acs.org/doi/10.1021/acs.jcim.1c01250

March 2, 2022


J. Chem. Inf. Model.


SPOP and OTUD7A Control EWS–FLI1 Protein Stability to Govern Ewing Sarcoma Growth

Siyuan Su, Jianfeng Chen, Yao Jiang, Ying Wang, Tamara Vital, Jiaming Zhang, Christian Laggner, Kong T. Nguyen, Zhichuan Zhu, Alex W. Prevatte, Natalie K. Barker, Laura E. Herring, Ian J. Davis, Pengda Liu

https://doi.org/10.1002/advs.202004846

June 1, 2021


Advanced Science


Artificial Intelligence for COVID-19 Drug Discovery and Vaccine Development

Arash Keshavarzi Arshadi, Julia Webb, Milad Salem, Emmanuel Cruz, Stacie Callad-Thomson, Niloofar Ghadirian, Jennifer Collins, Elen Diez-Cecilia, Brendan Kelly, Hani Goodarzi, and Jiann Shiun Yuan

https://doi.org/10.3389/frai.2020.00065

August 18, 2020


Frontiers in Artificial Intelligence


Current methods and challenges for deep learning in drug discovery

Stefan Schroedl

https://doi.org/10.1016/j.ddtec.2020.07.003

August 17, 2020


ScienceDirect


Discovery of Novel Inhibitors of a Critical Brain Enzyme Using a Homology Model and a Deep Convolutional Neural Network

Adrian Stecula, Muhammad S. Hussain, Ronald E. Viola

https://doi.org/10.1021/acs.jmedchem.0c00473

July 30, 2020


ACS Publications


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