Complementary non-radioactive assays for investigation of human flap endonuclease 1 activity. - Dorjbal Dorjsuren; Daemyung Kim; David J. Maloney; David M. Wilson III; Anton Simeonov (Nucleic Acids Res., 2011)

Structural insight into exosite binding and discovery of novel exosite inhibitors of botulinum neurotoxin serotype A through in silico screening. - Xin Hu; Patricia M. Legler; Noel Southall; David J. Maloney; Anton Simeonov; Ajit Jadhav (J. Comput. Aided Mol. Des., 2014)

Pharos: Collating protein information to shed light on the druggable genome. - Dac-Trung Nguyen; Stephen L. Mathias; Cristian Bologa; Søren Brunak; Nicolas F. Fernandez; Anna Gaulton; Anne Hersey; Jayme Holmes; Lars Juhl Jensen; Anneli Karlsson; Guixia Liu; Avi Ma'ayan; et al. (Nucleic Acids Res., 2017)

Bioactivity Signatures of Drugs vs. Environmental Chemicals Revealed by Tox21 High-Throughput Screening Assays. - Deborah K. Ngan; Lin Ye; Leihong Wu; Menghang Xia; Anna Rossoshek; Anton Simeonov; Ruili Huang (Frontiers Big Data, 2019)

Novel Consensus Architecture To Improve Performance of Large-Scale Multitask Deep Learning QSAR Models. - Alexey V. Zakharov; Tongan Zhao; Dac-Trung Nguyen; Tyler Peryea; Timothy Sheils; Adam Yasgar; Ruili Huang; Noel Southall; Anton Simeonov (J. Chem. Inf. Model., 2019)

SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules. - Vinicius M. Alves; Stephen J. Capuzzi; Rodolpho C. Braga; Daniel Robert Korn; Joshua E. Hochuli; Kyle H. Bowler; Adam Yasgar; Ganesha Rai; Anton Simeonov; Eugene N. Muratov; Alexey V. Zakharov; Alexander Tropsha (J. Chem. Inf. Model., 2020)

Critical Assessment of Artificial Intelligence Methods for Prediction of hERG Channel Inhibition in the "Big Data" Era. - Vishal B. Siramshetty; Dac-Trung Nguyen; Natalia J. Martinez; Noel Southall; Anton Simeonov; Alexey V. Zakharov (J. Chem. Inf. Model., 2020)

An Integrated Systems Biology Approach Identifies the Proteasome as A Critical Host Machinery for ZIKV and DENV Replication. - Guang Song; Emily M. Lee; Jianbo Pan; Miao Xu; Hee-Sool Rho; Yichen Cheng; Nadia Whitt; Shu Yang; Jennifer Kouznetsova; Carleen Klumpp-Thomas; Samuel G. Michael; Cedric Moore; et al. (Genom. Proteom. Bioinform., 2021)

Large-Scale Modeling of Multispecies Acute Toxicity End Points Using Consensus of Multitask Deep Learning Methods. - Sankalp Jain; Vishal B. Siramshetty; Vinicius M. Alves; Eugene N. Muratov; Nicole C. Kleinstreuer; Alexander Tropsha; Marc C. Nicklaus; Anton Simeonov; Alexey V. Zakharov (J. Chem. Inf. Model., 2021)

Predictive Models to Identify Small Molecule Activators and Inhibitors of Opioid Receptors. - Srilatha Sakamuru; Jinghua Zhao 003; Menghang Xia; Huixiao Hong; Anton Simeonov; Iosif I. Vaisman; Ruili Huang (J. Chem. Inf. Model., 2021)

TCRD and Pharos 2021: mining the human proteome for disease biology. - Timothy Sheils; Stephen L. Mathias; Keith J. Kelleher; Vishal B. Siramshetty; Dac-Trung Nguyen; Cristian Bologa; Lars Juhl Jensen; Dusica Vidovic; Amar Koleti; Stephan C. Schürer; Anna Waller; Jeremy J. Yang; et al. (Nucleic Acids Res., 2021)

Corrigendum to "An Integrated Systems Biology Approach Identifies the Proteasome as A Critical Host Machinery for ZIKV and DENV Replication" [Genomics Proteomics Bioinformatics19 (1) (2021) 108-122]. - Guang Song; Emily M. Lee; Jianbo Pan; Miao Xu; Hee-Sool Rho; Yichen Cheng; Nadia Whitt; Shu Yang; Jennifer Kouznetsova; Carleen Klumpp-Thomas; Samuel G. Michael; Cedric Moore; et al. (Genom. Proteom. Bioinform., 2022)

Predictive Models for Human Cytochrome P450 3A7 Selective Inhibitors and Substrates. - Tuan Xu; Md Kabir; Srilatha Sakamuru; Pranav Shah; Elias C. Padilha; Deborah K. Ngan; Menghang Xia; Xin Xu; Anton Simeonov; Ruili Huang (J. Chem. Inf. Model., 2023)