Computational evaluation of endocrine activity of biocidal active substances

The cross talk of adrenal and Leydig cell steroids in Leydig cells

(2019) Yiyan Wang et al.   JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY

Structural Dynamics of Agonist and Antagonist Binding to the Androgen Receptor

(2019) Ettayapuram Ramaprasad Azhagiya Singam et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The CompTox Chemistry Dashboard: a community data resource for environmental chemistry

(2017) Antony J. Williams et al.   Journal of Cheminformatics

Pyrethroid Pesticides as Endocrine Disruptors: Molecular Mechanisms in Vertebrates with a Focus on Fishes

(2016) Susanne M. Brander et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Screening Chemicals for Receptor-Mediated Toxicological and Pharmacological Endpoints: Using Public Data to Build Screening Tools within a KNIME Workflow

(2015) F. P. Steinmetz et al.   Molecular Informatics

OpenVirtualToxLab—A platform for generating and exchanging in silico toxicity data

(2015) Angelo Vedani et al.   TOXICOLOGY LETTERS

Endocrine Disruptome—An Open Source Prediction Tool for Assessing Endocrine Disruption Potential through Nuclear Receptor Binding

(2014) Katra Kolšek et al.   Journal of Chemical Information and Modeling

Examining Electrostatic Preorganization in Monoamine Oxidases A and B by Structural Comparison and pKa Calculations

(2014) Matej Repič et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Profiling of the Tox21 10K compound library for agonists and antagonists of the estrogen receptor alpha signaling pathway

(2014) Ruili Huang et al.   Scientific Reports

A structural view of nuclear hormone receptor: endocrine disruptor interactions

(2010) Albane le Maire et al.   CELLULAR AND MOLECULAR LIFE SCIENCES

Assessing Hormone Receptor Activities of Pyrethroid Insecticides and Their Metabolites in Reporter Gene Assays

(2010) Guizhen Du et al.   TOXICOLOGICAL SCIENCES

Endocrine-Disrupting Chemicals: An Endocrine Society Scientific Statement

(2009) Evanthia Diamanti-Kandarakis et al.   ENDOCRINE REVIEWS

Combining Docking, Molecular Dynamics and the Linear Interaction Energy Method to Predict Binding Modes and Affinities for Non-nucleoside Inhibitors to HIV-1 Reverse Transcriptase

(2008) Jens Carlsson et al.   JOURNAL OF MEDICINAL CHEMISTRY

Molecular basis of agonicity and antagonicity in the androgen receptor studied by molecular dynamics simulations

(2008) William H. Bisson et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING