Anton Simeonov

According to our database, Anton Simeonov authored at least 13 papers between 2011 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

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., February, 2023

2022

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, Ki-Jun Yoon, Kimberly M. Christian, Anton Simeonov, Wenwei Huang, Menghang Xia, Ruili Huang, Madhu Lal-Nag, Hengli Tang, Wei Zheng, Jiang Qian, Hongjun Song, Guo-li Ming, Heng Zhu

Genom. Proteom. Bioinform., August, 2022

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, Jayme Holmes, Giovanni Bocci, Noel Southall, Poorva Dharkar, Ewy A. Mathé, Anton Simeonov, Tudor I. Oprea

Nucleic Acids Res., 2021

Predictive Models to Identify Small Molecule Activators and Inhibitors of Opioid Receptors.

Srilatha Sakamuru, Jinghua Zhao, Menghang Xia, Huixiao Hong, Anton Simeonov, Iosif I. Vaisman, Ruili Huang

J. Chem. Inf. Model., 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

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, Ki-Jun Yoon, Kimberly M. Christian, Anton Simeonov, Wenwei Huang, Menghang Xia, Ruili Huang, Madhu Lal-Nag, Hengli Tang, Wei Zheng, Jiang Qian, Hongjun Song, Guo-li Ming, Heng Zhu

Genom. Proteom. Bioinform., 2021

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

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

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

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

2017

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, Geetha Mandava, Subramani Mani, Saurabh Mehta, John P. Overington, Juhee Patel, Andrew D. Rouillard, Stephan C. Schürer, Timothy Sheils, Anton Simeonov, Larry A. Sklar, Noel Southall, Oleg Ursu, Dusica Vidovic, Anna Waller, Jeremy J. Yang, Ajit Jadhav, Tudor I. Oprea, Rajarshi Guha

Nucleic Acids Res., 2017

2014

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

2011

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