Perfluorinated compounds binding to estrogen receptor of different species: a molecular dynamic modeling

Perfluorooctane sulfonate (PFOS) removal with Pd 0 /nFe 0 nanoparticles: Adsorption or aqueous Fe-complexation, not transformation?

(2018) Saerom Park et al.   JOURNAL OF HAZARDOUS MATERIALS

Probing Allosteric Inhibition Mechanisms of the Hsp70 Chaperone Proteins Using Molecular Dynamics Simulations and Analysis of the Residue Interaction Networks

(2016) Gabrielle Stetz et al.   Journal of Chemical Information and Modeling

Determination of the protonation state for the catalytic dyad in β-secretase when bound to hydroxyethylamine transition state analogue inhibitors: A molecular dynamics simulation study

(2016) Carlos Gueto-Tettay et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Predictive features of ligand-specific signaling through the estrogen receptor

(2016) J. C. Nwachukwu et al.   Molecular Systems Biology

Exploring Flexibility of Progesterone Receptor Ligand Binding Domain Using Molecular Dynamics

(2016) Liangzhen Zheng et al.   PLoS One

Aqueous Molecular Dynamics Simulations of the M. tuberculosis Enoyl-ACP Reductase-NADH System and Its Complex with a Substrate Mimic or Diphenyl Ethers Inhibitors

(2015) Camilo Lima et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Structure of a Biologically Active Estrogen Receptor-Coactivator Complex on DNA

(2015) Ping Yi et al.   MOLECULAR CELL

Investigation of the Effects of Perfluorooctanoic Acid (PFOA) and Perfluorooctane Sulfonate (PFOS) on Apoptosis and Cell Cycle in a Zebrafish (Danio rerio) Liver Cell Line

(2015) Yuan Cui et al.   International Journal of Environmental Research and Public Health

g_mmpbsa—A GROMACS Tool for High-Throughput MM-PBSA Calculations

(2014) Rashmi Kumari et al.   Journal of Chemical Information and Modeling

Perfluorinated compounds affect the function of sex hormone receptors

(2013) Lisbeth Stigaard Kjeldsen et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

A Species Difference in the Peroxisome Proliferator-Activated Receptor α-Dependent Response to the Developmental Effects of Perfluorooctanoic Acid

(2012) Prajakta P. Albrecht et al.   TOXICOLOGICAL SCIENCES

Promotion of Hepatocarcinogenesis by Perfluoroalkyl Acids in Rainbow Trout

(2011) Abby D. Benninghoff et al.   TOXICOLOGICAL SCIENCES

Perfluoroalkyl and polyfluoroalkyl substances in the environment: Terminology, classification, and origins

(2011) Robert C Buck et al.   Integrated Environmental Assessment and Management

I-TASSER: a unified platform for automated protein structure and function prediction

(2010) Ambrish Roy et al.   Nature Protocols

Estrogen-Like Activity of Perfluoroalkyl Acids In Vivo and Interaction with Human and Rainbow Trout Estrogen Receptors In Vitro

(2010) Abby D. Benninghoff et al.   TOXICOLOGICAL SCIENCES

Molecular Dynamics Simulations of Human LRH-1: The Impact of Ligand Binding in a Constitutively Active Nuclear Receptor†

(2008) Sofia Burendahl et al.   BIOCHEMISTRY

Genomic Profiling Reveals an Alternate Mechanism for Hepatic Tumor Promotion by Perfluorooctanoic Acid in Rainbow Trout

(2008) Susan C. Tilton et al.   ENVIRONMENTAL HEALTH PERSPECTIVES

Are PFCAs Bioaccumulative? A Critical Review and Comparison with Regulatory Criteria and Persistent Lipophilic Compounds

(2008) Jason M. Conder et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY