Decoding the structural events in substrate-gating mechanism of eukaryotic prolyl oligopeptidase using normal mode analysis and molecular dynamics simulations

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

Molecular dynamics, crystallography and mutagenesis studies on the substrate gating mechanism of prolyl oligopeptidase

(2012) Karol Kaszuba et al.   BIOCHIMIE

Use of Umbrella Sampling to Calculate the Entrance/Exit Pathway for Z-Pro-Prolinal Inhibitor in Prolyl Oligopeptidase

(2011) Jean-François St-Pierre et al.   Journal of Chemical Theory and Computation

Structural Analysis of Prolyl Oligopeptidases Using Molecular Docking and Dynamics: Insights into Conformational Changes and Ligand Binding

(2011) Swati Kaushik et al.   PLoS One

Global Dynamics of Proteins: Bridging Between Structure and Function

(2010) Ivet Bahar et al.   Annual Review of Biophysics

Structure and Catalysis of Acylaminoacyl Peptidase

(2010) Veronika Harmat et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Induced-fit Mechanism for Prolyl Endopeptidase

(2010) Min Li et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Inhibitors of Prolyl Oligopeptidases for the Therapy of Human Diseases: Defining Diseases and Inhibitors

(2010) Janice Lawandi et al.   JOURNAL OF MEDICINAL CHEMISTRY

Prolyl oligopeptidase is inhibited in relapsing-remitting multiple sclerosis

(2010) Jofre Tenorio-Laranga et al.   Journal of Neuroinflammation

Breathing Motions of a Respiratory Protein Revealed by Molecular Dynamics Simulations

(2009) Mariano Andrea Scorciapino et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structure, Function and Biological Relevance of Prolyl Oligopeptidase

(2008) Laszlo Polgar et al.   CURRENT PROTEIN & PEPTIDE SCIENCE

Normal mode analysis for proteins

(2008) Lars Skjaerven et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM