Pi-pi Stacking Mediated Cooperative Mechanism for Human Cytochrome P450 3A4

Cooperative Binding of Aflatoxin B1 by Cytochrome P450 3A4: A Computational Study

(2014) Urban Bren et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Two surfaces of cytochrome b5 with major and minor contributions to CYP3A4-catalyzed steroid and nifedipine oxygenation chemistries

(2013) Hwei-Ming Peng et al.   ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS

Molecular dynamics simulations give insight into d-glucose dioxidation at C2 and C3 by Agaricus meleagris pyranose dehydrogenase

(2013) Michael M. H. Graf et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

π-π Stacking mediated drug-drug interactions in human CYP2E1

(2013) Yue Liu et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Conformational dynamics of CYP3A4 demonstrate the important role of Arg212 coupled with the opening of ingress, egress and solvent channels to dehydrogenation of 4-hydroxy-tamoxifen

(2012) Kiumars Shahrokh et al.   BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS

Negatively Cooperative Binding Properties of Human Cytochrome P450 2E1 with Monocyclic Substrates

(2012) Jie Ping et al.   CURRENT DRUG METABOLISM

Cytochrome P450 3A4 Inhibition by Ketoconazole: Tackling the Problem of Ligand Cooperativity Using Molecular Dynamics Simulations and Free-Energy Calculations

(2012) Urban Bren et al.   Journal of Chemical Information and Modeling

Prediction of sites of metabolism in a substrate molecule, instanced by carbamazepine oxidation by CYP3A4

(2011) Hitomi Yuki et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Advances in Human Cytochrome P450 and Personalized Medicine

(2011) Qi Chen et al.   CURRENT DRUG METABOLISM

A Negative Cooperativity Mechanism of Human CYP2E1 Inferred from Molecular Dynamics Simulations and Free Energy Calculations

(2011) Jue Li et al.   Journal of Chemical Information and Modeling

Analysis of binding modes of ligands to multiple conformations of CYP3A4

(2010) Vitor H. Teixeira et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

Structure of Cytochrome P450s and Personalized Drug

(2008) Jing-Fang Wang et al.   CURRENT MEDICINAL CHEMISTRY

Cytochrome P450 and Chemical Toxicology

(2007) F. Peter Guengerich   CHEMICAL RESEARCH IN TOXICOLOGY