Mechanisms of peptide hydrolysis by aspartyl and metalloproteases

Constant pH Molecular Dynamics Reveals pH-Modulated Binding of Two Small-Molecule BACE1 Inhibitors

(2016) Christopher R. Ellis et al.   Journal of Physical Chemistry Letters

Theoretical Insights into the Functioning of Metallopeptidases and Their Synthetic Analogues

(2015) Tingting Zhang et al.   ACCOUNTS OF CHEMICAL RESEARCH

pH-Dependent Population Shift Regulates BACE1 Activity and Inhibition

(2015) Christopher R. Ellis et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Elucidating the catalytic mechanism of β-secretase (BACE1): A quantum mechanics/molecular mechanics (QM/MM) approach

(2013) Arghya Barman et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

MEROPS: the database of proteolytic enzymes, their substrates and inhibitors

(2013) Neil D. Rawlings et al.   NUCLEIC ACIDS RESEARCH

Computational Insights into Dynamics of Protein Aggregation and Enzyme–Substrate Interactions

(2012) Mehmet Ozbil et al.   Journal of Physical Chemistry Letters

Computational Modeling of Substrate Specificity and Catalysis of the β-Secretase (BACE1) Enzyme

(2011) Arghya Barman et al.   BIOCHEMISTRY

Can Human Prolidase Enzyme Use Different Metals for Full Catalytic Activity?

(2011) Marta E. Alberto et al.   INORGANIC CHEMISTRY

Mechanism of peptide hydrolysis by co-catalytic metal centers containing leucine aminopeptidase enzyme: a DFT approach

(2011) Xiaoxia Zhu et al.   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY

Elucidation of Interactions of Alzheimer Amyloid β Peptides (Aβ40 and Aβ42) with Insulin Degrading Enzyme: A Molecular Dynamics Study

(2010) Ram Prasad Bora et al.   BIOCHEMISTRY

Which One Among Aspartyl Protease, Metallopeptidase, and Artificial Metallopeptidase is the Most Efficient Catalyst in Peptide Hydrolysis?

(2010) Ram Prasad Bora et al.   JOURNAL OF PHYSICAL CHEMISTRY B

X-ray Snapshot of HIV-1 Protease in Action: Observation of Tetrahedral Intermediate and Short Ionic Hydrogen Bond SIHB with Catalytic Aspartate

(2010) Amit Das et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mapping cyclic nucleotide-induced conformational changes in cyclicAMP receptor protein by a protein footprinting technique using different chemical proteases

(2010) Noel Baichoo et al.   PROTEIN SCIENCE

Intramembrane Proteolysis

(2009) Michael S. Wolfe   CHEMICAL REVIEWS

Molecular Basis of Catalytic Chamber-assisted Unfolding and Cleavage of Human Insulin by Human Insulin-degrading Enzyme

(2009) Marika Manolopoulou et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Elucidation of insulin degrading enzyme catalyzed site specific hydrolytic cleavage of amyloid β peptide: a comparative density functional theory study

(2009) Ram Prasad Bora et al.   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY

Translational, rotational and internal dynamics of amyloid β-peptides (Aβ40 and Aβ42) from molecular dynamics simulations

(2009) Ram Prasad Bora et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Basis for the Recognition and Cleavages of IGF-II, TGF-α, and Amylin by Human Insulin-Degrading Enzyme

(2009) Qing Guo et al.   JOURNAL OF MOLECULAR BIOLOGY

Computational Insights into Aspartyl Protease Activity of Presenilin 1 (PS1) Generating Alzheimer Amyloid β-Peptides (Aβ40 and Aβ42)

(2009) Rajiv Singh et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Substrate Binding Mechanism of HIV-1 Protease from Explicit-Solvent Atomistic Simulations

(2009) Fabio Pietrucci et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Human Insulin-Degrading Enzyme Working Mechanism

(2009) Orazio Amata et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Identification of β-Secretase (BACE1) Substrates Using Quantitative Proteomics

(2009) Matthew L. Hemming et al.   PLoS One

Molecular Bases for the Recognition of Short Peptide Substrates and Cysteine-Directed Modifications of Human Insulin-Degrading Enzyme†

(2008) Enrico Malito et al.   BIOCHEMISTRY

Amyloid β-degrading cryptidases: insulin degrading enzyme, presequence peptidase, and neprilysin

(2008) E. Malito et al.   CELLULAR AND MOLECULAR LIFE SCIENCES

Amyloid Precursor Protein Trafficking, Processing, and Function

(2008) Gopal Thinakaran et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Peptide Hydrolysis by the Binuclear Zinc Enzyme Aminopeptidase fromAeromonas proteolytica:  A Density Functional Theory Study

(2008) Shi-Lu Chen et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Comparative Molecular Dynamics Studies of Wild-Type and Oxidized Forms of Full-Length Alzheimer Amyloid β-Peptides Aβ(1−40) and Aβ(1−42)

(2008) Luciano Triguero et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-ray Diffraction

(2008) Leighton Coates et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Crystal Structure of an Active Form of BACE1, an Enzyme Responsible for Amyloid   Protein Production

(2008) H. Shimizu et al.   MOLECULAR AND CELLULAR BIOLOGY

Potent pyrrolidine- and piperidine-based BACE-1 inhibitors

(2007) U. Iserloh et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS