Publications
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June 12, 2020
Quantitative Structure–Activity Relationship Models for Predicting Inflammatory Potential of Metal Oxide Nanoparticles
Although substantial concerns about the inflammatory effects of engineered nanomaterial (ENM) have been raised, experimentally assessing toxicity of various ENMs is challenging and time-consuming. Alternatively, quantitative structure–activity relationship (QSAR) models…
Journal: Environmental Health Perspectives
January 15, 2019
Computational prediction models for assessing endocrine disrupting potential of chemicals
Endocrine disrupting chemicals (EDCs) mimic natural hormones and disrupt endocrine function. Humans and wildlife are exposed to EDCs might alter endocrine functions through various mechanisms and lead to an adverse…
Journal: Journal of Environmental Science and Health, Part C Environmental Carcinogenesis and Ecotoxicology Reviews
May 15, 2018
Structural Changes Due to Antagonist Binding in Ligand Binding Pocket of Androgen Receptor Elucidated through Molecular Dynamics Simulations
When a small molecule binds to the androgen receptor (AR), a conformational change can occur which impacts subsequent binding of co-regulator proteins and DNA. In order to accurately study this…
Journal: Frontiers in Pharmacology
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