Structural and Dynamic Basis of Human Cytochrome P450 7B1: A Survey of Substrate Selectivity and Major Active Site Access Channels

Characterization of Domain–Peptide Interaction Interface: Prediction of SH3 Domain-Mediated Protein–Protein Interaction Network in Yeast by Generic Structure-Based Models

(2012) Tingjun Hou et al.   JOURNAL OF PROTEOME RESEARCH

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

Automated Information Extraction and Structure−Activity Relationship Analysis of Cytochrome P450 Substrates

(2011) Fumiyoshi Yamashita et al.   Journal of Chemical Information and Modeling

Quantum mechanically derived AMBER-compatible heme parameters for various states of the cytochrome P450 catalytic cycle

(2011) Kiumars Shahrokh et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Comparative modeling of 25-hydroxycholesterol-7α-hydroxylase (CYP7B1): ligand binding and analysis of hereditary spastic paraplegia type 5 CYP7B1 mutations

(2011) Afraa Siam et al.   JOURNAL OF MOLECULAR MODELING

The molecular basis of IGF-II/IGF2R recognition: a combined molecular dynamics simulation, free-energy calculation and computational alanine scanning study

(2011) Jingjing Guo et al.   JOURNAL OF MOLECULAR MODELING

Interactions of cytochrome P450s with their ligands

(2010) Kip P. Conner et al.   ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS

Effects of CYP7B1-mediated catalysis on estrogen receptor activation

(2010) Hanna Pettersson et al.   BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR AND CELL BIOLOGY OF LIPIDS

Analysis of binding modes of ligands to multiple conformations of CYP3A4

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

Human Cytochrome P450 2E1 Structures with Fatty Acid Analogs Reveal a Previously Unobserved Binding Mode

(2010) Patrick R. Porubsky et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

A 3D Model of CYP1B1 Explains the Dominant 4-Hydroxylation of Estradiol

(2010) Toshimasa Itoh et al.   Journal of Chemical Information and Modeling

Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations

(2010) Tingjun Hou et al.   Journal of Chemical Information and Modeling

Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. The accuracy of ranking poses generated from docking

(2010) Tingjun Hou et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Fundamental Reaction Pathways for Cytochrome P450-Catalyzed 5′-Hydroxylation andN-Demethylation of Nicotine

(2010) Dongmei Li et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The 7-hydroxylation of dehydroepiandrosterone in rat brain

(2010) Aiqun Li et al.   STEROIDS

A comparative analysis of binding sites between mouse CYP2C38 and CYP2C39 based on homology modeling, molecular dynamics simulation and docking studies

(2009) Xuan-Yu Meng et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

CYP7B1 mutations in pure and complex forms of hereditary spastic paraplegia type 5

(2009) C. Goizet et al.   BRAIN

Prevalence of hereditary ataxia and spastic paraplegia in southeast Norway: a population-based study

(2009) A. K. Erichsen et al.   BRAIN

CYP7B1: One Cytochrome P450, Two Human Genetic Diseases, and Multiple Physiological Functions

(2009) Ashlee R. Stiles et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Classification of Cytochrome P450 Inhibitors with Respect to Binding Free Energy and pIC50Using Common Molecular Descriptors

(2009) Onur Dagliyan et al.   Journal of Chemical Information and Modeling

Probing possible egress channels for multiple ligands in human CYP3A4: A molecular modeling study

(2009) Navaneethakrishnan Krishnamoorthy et al.   JOURNAL OF MOLECULAR MODELING

Neonatal Cholestatic Liver Disease in an Asian Patient With a Homozygous Mutation in the Oxysterol 7α-hydroxylase Gene

(2009) Isao Ueki et al.   JOURNAL OF PEDIATRIC GASTROENTEROLOGY AND NUTRITION

Molecular Oxygen Activation and Proton Transfer Mechanisms in Lanosterol 14α-Demethylase Catalysis

(2009) Kakali Sen et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Sequence Alterations within CYP7B1 Implicate Defective Cholesterol Homeostasis in Motor-Neuron Degeneration

(2008) Maria K. Tsaousidou et al.   AMERICAN JOURNAL OF HUMAN GENETICS

Crystal Structures of Substrate-Free and Retinoic Acid-Bound Cyanobacterial Cytochrome P450 CYP120A1†‡

(2008) Karin Kühnel et al.   BIOCHEMISTRY

Characterization of Domain–Peptide Interaction Interface: A Case Study on the Amphiphysin-1 SH3 Domain

(2008) Tingjun Hou et al.   JOURNAL OF MOLECULAR BIOLOGY