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Biochimica Et Biophysica Acta. Biomembranes|November 3, 2019
Probing cholesterol binding and translocation in P-glycoproteinSundar Thangapandian, Karan Kapoor, Emad TajkhorshidChemical Science|April 20, 2022
Extended-ensemble docking to probe dynamic variation of ligand binding sites during large-scale structural changes of proteinsKaran Kapoor, Sundar Thangapandian, Emad TajkhorshidProceedings of the National Academy of Sciences of the United States of America|March 5, 2025
Conformational free energy landscape of a glutamate transporter and microscopic details of its transport mechanismSundar Thangapandian, Ashkan Fakharzadeh, Mahmoud Moradi, et al.Frontiers in Physiology|August 29, 2019
Deep Learning-Based Structure-Activity Relationship Modeling for Multi-Category Toxicity Classification: A Case Study of 10K Tox21 Chemicals With High-Throughput Cell-Based Androgen Receptor Bioassay DataGabriel Idakwo, Sundar Thangapandian, Joseph Luttrell, et al.Frontiers in Molecular Biosciences|January 30, 2023
Recent applications of computational methods to allosteric drug discoveryRajiv Gandhi Govindaraj, Sundar Thangapandian, Michael Schauperl, et al.Journal of Environmental Science and Health. Part C, Environmental Carcinogenesis & Ecotoxicology Reviews|November 15, 2018
Target-specific toxicity knowledgebase (TsTKb): a novel toolkit for in silico predictive toxicologyYan Li, Gabriel Idakwo, Sundar Thangapandian, et al.Journal of Cheminformatics|December 29, 2020
Structure-activity relationship-based chemical classification of highly imbalanced Tox21 datasetsGabriel Idakwo, Sundar Thangapandian, Joseph Luttrell, et al.Pageof 1