Exploring the binding features of polybrominated diphenyl ethers as estrogen receptor antagonists: docking studies

Molecular design, synthesis and docking study of benz[b]oxepines and 12-oxobenzo[c]phenanthridinones as topoisomerase 1 inhibitors

(2009) Suh-Hee Lee et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Structural modification of 3-arylisoquinolines to isoindolo[2,1-b]isoquinolinones for the development of novel topoisomerase 1 inhibitors with molecular docking study

(2009) Hue Thi My Van et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Binding Orientations, QSAR, and Molecular Design of Thiophene Derivative Inhibitors

(2009) Si Yan Liao et al.   Chemical Biology & Drug Design

Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy

(2009) Jason B. Cross et al.   Journal of Chemical Information and Modeling

Effects of protein conformation in docking: improved pose prediction through protein pocket adaptation

(2009) Ajay N. Jain   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Exploring Interactions of Endocrine-Disrupting Compounds with Different Conformations of the Human Estrogen Receptor α Ligand Binding Domain: A Molecular Docking Study

(2008) Leyla Celik et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Hydroxylated Metabolites of the Polybrominated Diphenyl Ether Mixture DE-71 Are Weak Estrogen Receptor-α Ligands

(2008) Minerva Mercado-Feliciano et al.   ENVIRONMENTAL HEALTH PERSPECTIVES

Molecular Docking of Intercalators and Groove-Binders to Nucleic Acids Using Autodock and Surflex

(2008) Patrick A. Holt et al.   Journal of Chemical Information and Modeling

Structure-based virtual screening for glycosyltransferase51

(2008) Min Yang et al.   MOLECULAR SIMULATION

Evaluation and QSAR modeling on multiple endpoints of estrogen activity based on different bioassays

(2007) Huanxiang Liu et al.   CHEMOSPHERE

An efficient tool for identifying inhibitors based on 3D-QSAR and docking using feature-shape pharmacophore of biologically active conformation – A case study with CDK2/CyclinA

(2007) Nahren Manuel Mascarenhas et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY