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2020 – today
- 2023
[j13]Tuan Xu, Md Kabir, Srilatha Sakamuru
, Pranav Shah, Elias C. Padilha, Deborah K. Ngan, Menghang Xia, Xin Xu, Anton Simeonov, Ruili Huang:
Predictive Models for Human Cytochrome P450 3A7 Selective Inhibitors and Substrates. J. Chem. Inf. Model. 63(3): 846-855 (2023)- 2022
- [j12]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:
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]. Genom. Proteom. Bioinform. 20(4): 808-809 (2022) - 2021
- [j11]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:
An Integrated Systems Biology Approach Identifies the Proteasome as A Critical Host Machinery for ZIKV and DENV Replication. Genom. Proteom. Bioinform. 19(1): 108-122 (2021) - [j10]Sankalp Jain, Vishal B. Siramshetty, Vinicius M. Alves, Eugene N. Muratov, Nicole C. Kleinstreuer, Alexander Tropsha, Marc C. Nicklaus, Anton Simeonov, Alexey V. Zakharov:
Large-Scale Modeling of Multispecies Acute Toxicity End Points Using Consensus of Multitask Deep Learning Methods. J. Chem. Inf. Model. 61(2): 653-663 (2021) - [j9]Srilatha Sakamuru, Jinghua Zhao, Menghang Xia, Huixiao Hong, Anton Simeonov, Iosif I. Vaisman, Ruili Huang:
Predictive Models to Identify Small Molecule Activators and Inhibitors of Opioid Receptors. J. Chem. Inf. Model. 61(6): 2675-2685 (2021) - [j8]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:
TCRD and Pharos 2021: mining the human proteome for disease biology. Nucleic Acids Res. 49(Database-Issue): D1334-D1346 (2021) - 2020
- [j7]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:
SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules. J. Chem. Inf. Model. 60(8): 4056-4063 (2020) - [j6]Vishal B. Siramshetty, Dac-Trung Nguyen, Natalia J. Martinez, Noel Southall, Anton Simeonov, Alexey V. Zakharov:
Critical Assessment of Artificial Intelligence Methods for Prediction of hERG Channel Inhibition in the "Big Data" Era. J. Chem. Inf. Model. 60(12): 6007-6019 (2020)
2010 – 2019
- 2019
- [j5]Deborah K. Ngan, Lin Ye, Leihong Wu, Menghang Xia, Anna Rossoshek, Anton Simeonov, Ruili Huang:
Bioactivity Signatures of Drugs vs. Environmental Chemicals Revealed by Tox21 High-Throughput Screening Assays. Frontiers Big Data 2: 50 (2019) - [j4]Alexey V. Zakharov, Tongan Zhao, Dac-Trung Nguyen, Tyler Peryea, Timothy Sheils, Adam Yasgar, Ruili Huang, Noel Southall, Anton Simeonov:
Novel Consensus Architecture To Improve Performance of Large-Scale Multitask Deep Learning QSAR Models. J. Chem. Inf. Model. 59(11): 4613-4624 (2019) - 2017
- [j3]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:
Pharos: Collating protein information to shed light on the druggable genome. Nucleic Acids Res. 45(Database-Issue): D995-D1002 (2017) - 2014
- [j2]Xin Hu, Patricia M. Legler, Noel Southall, David J. Maloney, Anton Simeonov, Ajit Jadhav:
Structural insight into exosite binding and discovery of novel exosite inhibitors of botulinum neurotoxin serotype A through in silico screening. J. Comput. Aided Mol. Des. 28(7): 765-778 (2014) - 2011
- [j1]Dorjbal Dorjsuren, Daemyung Kim, David J. Maloney, David M. Wilson III, Anton Simeonov:
Complementary non-radioactive assays for investigation of human flap endonuclease 1 activity. Nucleic Acids Res. 39(2): 11 (2011)
Coauthor Index
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