Investigation of ligand selectivity in CYP3A7 by molecular dynamics simulations

Molecular Dynamic Investigations of the Mutational Effects on Structural Characteristics and Tunnel Geometry in CYP17A1

(2013) Ying-Lu Cui et al.   Journal of Chemical Information and Modeling

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

(2012) Ying-Lu Cui et al.   CHEMISTRY-A EUROPEAN JOURNAL

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

Age Trends in Estradiol and Estrone Levels Measured Using Liquid Chromatography Tandem Mass Spectrometry in Community-Dwelling Men of the Framingham Heart Study

(2012) G. K. Jasuja et al.   JOURNALS OF GERONTOLOGY SERIES A-BIOLOGICAL SCIENCES AND MEDICAL SCIENCES

Conjugated Polyelectrolyte Dendrimers: Aggregation, Photophysics, and Amplified Quenching

(2012) Fude Feng et al.   LANGMUIR

Investigation of Indazole Unbinding Pathways in CYP2E1 by Molecular Dynamics Simulations

(2012) Zhonghua Shen et al.   PLoS One

Structural and Mechanistic Insights into the Interaction of Cytochrome P4503A4 with Bromoergocryptine, a Type I Ligand

(2011) Irina F. Sevrioukova et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Interactions of cytochrome P450s with their ligands

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

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

Adsorption Mechanism of Ribosomal Protein L2 onto a Silica Surface: A Molecular Dynamics Simulation Study

(2010) Ryo Tosaka et al.   LANGMUIR

Reexamination of testosterone, dihydrotestosterone, estradiol and estrone levels across the menstrual cycle and in postmenopausal women measured by liquid chromatography–tandem mass spectrometry

(2010) Micol S. Rothman et al.   STEROIDS

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

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

Probing ligand binding modes of human cytochrome P450 2J2 by homology modeling, molecular dynamics simulation, and flexible molecular docking

(2007) Weihua Li et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS