A Computational Approach to Evaluate the Androgenic Affinity of Iprodione, Procymidone, Vinclozolin and Their Metabolites

Using molecular docking-based binding energy to predict toxicity of binary mixture with different binding sites

(2013) Zhifeng Yao et al.   CHEMOSPHERE

Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery

(2012) Xuan-Yu Meng et al.   Current Computer-Aided Drug Design

Accounting for Induced-Fit Effects in Docking: What is Possible and What is Not?

(2012) Christoph A. Sotriffer   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Risk assessment of endocrine active chemicals: Identifying chemicals of regulatory concern

(2012) Remi Bars et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

In silico identification of new ligands for GPR17: a promising therapeutic target for neurodegenerative diseases

(2011) Ivano Eberini et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

The human relevant potency threshold: Reducing uncertainty by human calibration of cumulative risk assessments

(2011) C.J. Borgert et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

An interpretation of positional displacement of the helix12 in nuclear receptors: Preexistent swing-up motion triggered by ligand binding

(2010) Chiduru Watanabe et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

Computational studies of interactions between endocrine disrupting chemicals and androgen receptor of different vertebrate species

(2010) Bing Wu et al.   CHEMOSPHERE

An Integrated Summary of Commentary on The National Academy of Sciences Report on ‘‘Toxicity Testing in the 21st Century: A Vision and a Strategy’’

(2010) James E Gibson   HUMAN & EXPERIMENTAL TOXICOLOGY

LowModeMD—Implicit Low-Mode Velocity Filtering Applied to Conformational Search of Macrocycles and Protein Loops

(2010) Paul Labute   Journal of Chemical Information and Modeling

Toxicity Testing in the 21st Century: A Vision and a Strategy

(2010) Daniel Krewski et al.   JOURNAL OF TOXICOLOGY AND ENVIRONMENTAL HEALTH-PART B-CRITICAL REVIEWS

Endocrine-Disrupting Chemicals: An Endocrine Society Scientific Statement

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

Metabolism of Procymidone Derivatives in Female Rats

(2009) Hirokazu Tarui et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Biotransformation of Vinclozolin in Rat Precision-Cut Liver Slices: Comparison within VivoMetabolic Pattern

(2008) Julian Bursztyka et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

The generalized Born/volume integral implicit solvent model: Estimation of the free energy of hydration using London dispersion instead of atomic surface area

(2008) Paul Labute   JOURNAL OF COMPUTATIONAL CHEMISTRY

Functional characterization and expression analysis of the androgen receptor in zebrafish (Danio rerio) testis

(2008) P P de Waal et al.   REPRODUCTION

Computational and experimental approaches assess the interactions between bovine β-lactoglobulin and synthetic compounds of pharmacological interest

(2007) Ivano Eberini et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING