Functional characterization and mechanistic modeling of the human cytochrome P450 enzyme CYP4A22

A comprehensive overview of common polymorphic variants that cause missense mutations in human CYPs and UGTs

(2019) Xiaolin Cao et al.   BIOMEDICINE & PHARMACOTHERAPY

Computational Insight Into Vitamin K1 ω-Hydroxylation by Cytochrome P450 4F2

(2018) Junhao Li et al.   Frontiers in Pharmacology

The Crystal Structure of Cytochrome P450 4B1 (CYP4B1) Monooxygenase Complexed with Octane Discloses Several Structural Adaptations for ω-Hydroxylation

(2017) Mei-Hui Hsu et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Arginase Structure and Inhibition: Catalytic Site Plasticity Reveals New Modulation Possibilities

(2017) Jérémie Mortier et al.   Scientific Reports

Ligand Binding Ensembles Determine Graded Agonist Efficacies at a G Protein-coupled Receptor

(2016) Andreas Bock et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

CHARMM TIP3P Water Model Suppresses Peptide Folding by Solvating the Unfolded State

(2016) Sander Boonstra et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Analysis of protein-coding genetic variation in 60,706 humans

(2016) Monkol Lek et al.   NATURE

A global reference for human genetic variation

(2015) Richard A. Gibbs et al.   NATURE

The I-TASSER Suite: protein structure and function prediction

(2015) Jianyi Yang et al.   NATURE METHODS

CYP4 Enzymes As Potential Drug Targets: Focus on Enzyme Multiplicity, Inducers and Inhibitors, and Therapeutic Modulation of 20- Hydroxyeicosatetraenoic Acid (20-HETE) Synthase and Fatty Acid ω- Hydroxylase Activities

(2013) Katheryne Edson et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Human cytochromes P450 in health and disease

(2013) D. W. Nebert et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES

Bioluminescent assays for ADME evaluation: dialing in CYP selectivity with luminogenic substrates

(2012) James J Cali et al.   Expert Opinion on Drug Metabolism & Toxicology

Genetic polymorphism of CYP4A11 and CYP4A22 genes and in silico insights from comparative 3D modelling in a French population

(2011) Christian L. Lino Cardenas et al.   GENE

MDAnalysis: A toolkit for the analysis of molecular dynamics simulations

(2011) Naveen Michaud-Agrawal et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Convenient Gram-Scale Metabolite Synthesis by Engineered Fission Yeast Strains Expressing Functional Human P450 Systems

(2010) Călin-Aurel Drăgan et al.   APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY

POVME: An algorithm for measuring binding-pocket volumes

(2010) Jacob D. Durrant et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

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

(2010) Ambrish Roy et al.   Nature Protocols

P450 Enzymes: Their Structure, Reactivity, and Selectivity—Modeled by QM/MM Calculations

(2009) Sason Shaik et al.   CHEMICAL REVIEWS

Human CYP4Z1 catalyzes the in-chain hydroxylation of lauric acid and myristic acid

(2008) Andy Zöllner et al.   BIOLOGICAL CHEMISTRY

I-TASSER server for protein 3D structure prediction

(2008) Yang Zhang   BMC BIOINFORMATICS

Impact of Plasticity and Flexibility on Docking Results for Cytochrome P450 2D6: A Combined Approach of Molecular Dynamics and Ligand Docking

(2008) Jozef Hritz et al.   JOURNAL OF MEDICINAL CHEMISTRY