Dr. Evelyne Deplazes: Difference between revisions

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Evelyne Deplazes <br>
NHMRC Early Career Research Fellow <br>
I am a Research Fellow at Curtin University in Perth and a visiting academic at the University of Queensland.
== Contact Details ==
== Contact Details ==


at Curtin: <br>
Dr. Evelyne Deplazes <br>
School of Biomedical Sciences <br>
Faculty of Health <br>
Bentey, WA 6102, Australia <br>
'''email''' evelyne.deplazes|at|curtin.edu.au <br>
Phone: +61 8 9266 56 85
<br>
at UQ:<br>
Dr. Evelyne Deplazes <br>
Dr. Evelyne Deplazes <br>
NHMRC Early Career Research Fellow <br>
Institute for Molecular Bioscience (King group) <br>
School of Chemistry and Molecular Biosciences (Molecular Dynamics group) <br>
School of Chemistry and Molecular Biosciences (Molecular Dynamics group) <br>
The University of Queensland <br>
The University of Queensland <br>
St. Lucia, Brisbane <br>
St. Lucia, QLD 4072, Australia <br>
QLD 4072 <br>
Australia <br>


'''email''' e.deplazes|at|uq.edu.au <br>
'''email''' e.deplazes|at|uq.edu.au <br>
Phone: +61 7 3365 7562
Phone: +61 7 3365 7562


== Biography ==


I completed a  double degree in Chemistry and Computer Science at Curtin University in Perth (2003-2006). During my undergraduate research project I used quantum mechanical calculations to simulate the IR and Raman spectra of histidine in solution. After that I completed an Honours in Computational Chemistry (2007) focusing on quantum mechanical calculations of transition metals for modelling the chemical and physical properties of materials.  
Online reserach and publication profiles <br>
 
[http://oasisapps.curtin.edu.au/staff/profile/view/Evelyne.Deplazes Curtin staff profile ]
 
[http://www.linkedin.com/pub/evelyne-deplazes/93/403/583 LinkedIn]


In 2012 I was awarded my PhD in Computational Biophysics from the University of Western Australia, Perth. As part of my PhD I have developed methods for integrating structural data from spectroscopy experiments into simulations to model the gating behavior of mechanosensitive ion channels that predicted the role of specific structural domains in the gating mechanism of the channel. Furthermore, my PhD project focused on using molecular dynamics and Monte Carlo simulations to aid in the analysis and interpretation of FRET spectroscopy experiments.
[http://www.researcherid.com/rid/F-4618-2012 ResearcherID]
After finishing my PhD I joined the research groups of Prof. Alan Mark (School of Chemistry and Molecular Biosciences, UQ) and Prof. Glenn King (Institute for Molecular Bioscience, UQ) to work on a collaborative project that focuses on peptides derived from animal venoms for the development of new drugs to treat chronic pain.  <br>


[http://orcid.org/0000-0003-2052-5536 ORCID]


== Research Interests and Projects ==
[http://scholar.google.com.au/citations?user=xBJ8mg0AAAAJ&hl=en Google Scholar profile]


My main research area is the use of computational chemistry for investigating the structure-activity relationship of ion channels and their interactions with drug molecules. This allows me to integrate my knowledge and skills in chemistry, structural biology and computer science. I am experienced in a range of molecular modelling techniques and theoretical approaches including quantum mechanical calculations, Monte Carlo simulations, molecular dynamics simulations, homology modelling and docking. In addition I am interested in the developing computational methods that enables researchers to make better use of the data from spectroscopy experiment, with a particular focus on FRET and EPR. <br> <br>
== Biosketch ==


'''Development of venom-based drugs for treating chronic pain'''<br>
I completed a '''double degree in Chemistry and Computer Science Curtin University in Perth''', Western Australia. . During my undergraduate research project I used quantum mechanical calculations to simulate the IR and Raman spectra of histidine in solution (Deplazes et al, 2008). I then did an '''Honours degree in Computational Chemistry (2007)''', also at Curtin University, in which my research focuses on quantum mechanical calculations of transition metals for modelling the chemical and physical properties of materials.
The main focus of this project is to develop potent and selective blockers of acid sensing ion channels (ASICs). These ion channels are the primary sensors of acidic conditions in humans and recent studies have shown that ASICs are involved in a range of physiological processes and medical conditions including pain, inflammation, neurological and psychiatric diseases. We are particularly interested in the ASIC3 and ASIC1a subtype as these have been shown to be involved in the perception and transmission of pain in the central and peripheral nervous system. This project combines molecular dynamics simulations and docking with experimental validation to characterize the interactions between a range of venom peptides and ASIC1a and ASIC3. The results from the simulations will aid the optimization of the peptides into small-molecule analgesics that might be more useful therapeutically. <br>
This project is a collaboration between the [http://compbio.biosci.uq.edu.au/md/ MD group] at the School of Chemistry and Molecular Biosciences (UQ) and the [http://www.imb.uq.edu.au/glenn-king King group] at the Institute for Molecular Biosciences (UQ) and is part of the venom-based drug design program in the [http://www.imb.uq.edu.au/index.html?page=56210 King group] to develop novel therapeutics to treat chronic pain. (See for example this article in [http://www.abc.net.au/science/articles/2013/10/01/3859315.htm  ABC Science]). <br>
<br>


'''Developing computational methods to improve the accuracy of structural data obtained from DEER spectroscopy''' <br>
In 2012 I was awarded my '''PhD in Computational Biophysics from the University of Western Australia''', Perth. As part of my PhD I have developed methods for integrating structural data from spectroscopy experiments into simulations to model the gating behavior of mechanosensitive ion channels that predicted the role of specific structural domains in the gating mechanism of the channel (Deplazes et. al, 2012). I also carried out fluorescence spectroscopy experiments to study the clustering of mechanosensitive channels (Nomura et. al. 2012). In addition, my PhD project focused on using molecular dynamics and Monte Carlo simulations to aid in the analysis and interpretation of FRET spectroscopy experiments (Deplazes et. al., 2011, Deplazes et. al 2012).
Our ability to understand physiological processes relies on the availability of structural data to create accurate 3D models of the proteins involved. Techniques to gather and process structural data are thus important tools for structural biology and related fields such as rational drug design. Double electron-electron resonance (DEER) spectroscopy is a powerful technique that can be used to measure distances between specific sites in a protein. However, relating the distance distributions from the DEER experiments to the structural model of the protein is challenging. Current methods are often inadequate and limit the accuracy of the resulting structural model. This project employs molecular dynamics simulations to develop new and robust protocols to accurately predict DEER spectra and the corresponding distance distributions. The outcomes of this project are computational methods that will significantly improve the interpretation of DEER experiments and thus increase our ability to obtain accurate structural models of proteins. <br>
This project is a collaboration with [http://staff.scmb.uq.edu.au/staff/megan-omara Dr. Megan O'Mara] at the School of Chemistry and Molecular Biosciences (UQ). <br>
<br>


== Publications ==


Links to all my publications can be found on my  [http://scholar.google.com.au/citations?user=xBJ8mg0AAAAJ&hl=en Google Scholar profile].
After my PhD I was awarded a Postdoctoral fellowship by the Swiss National Science Foundation to work in the research groups of Prof. Alan Mark (School of Chemistry and Molecular Biosciences, UQ) and Prof. Glenn King (Institute for Molecular Bioscience, UQ). This is a collaborative project that focuses on the use of computational methods to study the molecular interactions between venom-based peptides and their ion channel targets. In addition, I work on the development of computational approaches that in combination with data from optical and spectroscopy techniques can be used to study the lipid-binding properties of peptides. In 2014 I was awarded a '''NHMRC Early-Career Research Fellowship''' to continue my work on these projects.


'''Book Chapters''' <br>
In 2016 I moved to Curtin University where I work as a Research Fellow at the School of Biomedical Sciences. My research focuses primarily on the use and development of Molecular Dynamics techniques and in combination with  spectroscopy experiments to study the interactions of peptides with biological membranes.


1. O'Mara M., Deplazes E.: Polypeptide and Protein Modeling for Drug Design. In: Jaeger D., Jung R. (Ed.) Encyclopedia of Computational Neuroscience, 2013, [http://www.springerreference.com/docs/html/chapterdbid/349045.html available online] <br>
<br>


'''Refereed Journal Articles''' <br>
== Research Interests ==


1. Deplazes E. , Louhivuori M., Jayatilaka D., Marrink SJ., Corry B., 2012, Structural investigation of MscL gating using experimental data and coarse grained MD simulations, PloS Computational Biology,  vol 8, issue 9 <br>
'''My main research focus is the development and use of computational methods to understand the structure and dynamic properties of biomolecular systems.''' In particular, I am interested in using molecular dynamics (MD) simulations and docking approaches to study the structure of membrane proteins and their interactions with peptides for aiding peptide-based drug design. This also includes the evaluation of docking methods for predicting peptide-protein complexes. I also use MD simulations in combination with data from experimental techniques such as surface plasmon resonance, vibrational spectroscopy and NMR to study the binding of peptides to membranes. In addition, I am interested in developing computational methods that enable researchers to make better use of the data from spectroscopy experiment with a particular focus on vibrational spectroscopy and fluorescence resonance energy transfer (FRET).


2. Martinac B. , Petrov E., Cranfield CG, Nomura T., Rhode PR., Battle AR., Landsberg JL, Foo A. Constatine M, Rothnagel R., Carne S., Chi G., Deplazes E., Cronell B., Hankammer, B., 2012, Bacterial mechansosensitive ion channels (Review), accepted for publication in Antioxidant & Redox signalling 
In my research I aim to combine computational approaches with experimental validation to develop methods that allow us to accurately describe the molecular interactions that govern the function of peptides and proteins. Only through rigorously validated methods can we take advantage of the predictive power of computational methods. When applied properly, computational methods are a powerful tool to gain insight into biological processes at the atomistic level and contribute to our understanding of normal physical functions and the molecular origins of diseases.


3. Nomura T., Cranfield CG, Deplazes E., Owen DM., Macmillan A., Battle AR, Constantine M., Sokabe M., Martinac B. 2012, Differential effects of lipids and lyso-lipids on the mechanosensitivity of the mechanosensitive channels MscL and MscS, PNAS, vol 109 (122), 8770-8775 <br>


4. Deplazes E., Jayatilaka D and Corry B., 2011, Testing the use of molecular dynamics to simulate fluorophore motions and FRET, Physcial Chemistry Chemcial Physics, 13 (23), 11045-11054 <br>
My research allows me to integrate my knowledge and skills in chemistry, structural biology and computer science. I am experienced in a range of molecular modelling techniques and theoretical approaches including quantum mechanical calculations, Monte Carlo simulations, molecular dynamics simulations, homology modelling and docking.  I am also knowledgeable in many spectroscopy methods such as infrared (IR), Raman, and fluorescence spectroscopy. 


5. Deplazes E., Jayatilaka D and Corry B., 2011, ExiFRET: A flexible tool for understanding FRET in complex geometries, Journal of Biomedical Optics, 17, 011005 <br>


6. Deplazes E., van Bronswijk W., Zhu F., Barron L.D. , Ma S., Nafi A. and Jalkanen K.J., 2010, A combined theoretical and experimental study of the structure and vibrational absorption, vibrational circular dichroism, Raman and Raman optical activity spectra of the L -histidine zwitterion, Theoretical Chemistry Accounts, Vol. 19, no. 1-3, pp. 155 – 176<br>
== Publications ==


7. Varganov S.A., Gilbert A.T., Deplazes E., Gill P.M., 2008, Resolution of the Coloumb operator, Journal of Chemical Physics, Vol. 128, no. 20, pp. 201104 <br>
Links to all my publications can be found on my  [http://scholar.google.com.au/citations?user=xBJ8mg0AAAAJ&hl=en Google Scholar profile]

Latest revision as of 04:01, 6 April 2016

Evelyne Deplazes
NHMRC Early Career Research Fellow

I am a Research Fellow at Curtin University in Perth and a visiting academic at the University of Queensland.

Contact Details

at Curtin:
Dr. Evelyne Deplazes
School of Biomedical Sciences
Faculty of Health
Bentey, WA 6102, Australia

email evelyne.deplazes|at|curtin.edu.au
Phone: +61 8 9266 56 85

at UQ:
Dr. Evelyne Deplazes
School of Chemistry and Molecular Biosciences (Molecular Dynamics group)
The University of Queensland
St. Lucia, QLD 4072, Australia

email e.deplazes|at|uq.edu.au
Phone: +61 7 3365 7562


Online reserach and publication profiles

Curtin staff profile

LinkedIn

ResearcherID

ORCID

Google Scholar profile

Biosketch

I completed a double degree in Chemistry and Computer Science Curtin University in Perth, Western Australia. . During my undergraduate research project I used quantum mechanical calculations to simulate the IR and Raman spectra of histidine in solution (Deplazes et al, 2008). I then did an Honours degree in Computational Chemistry (2007), also at Curtin University, in which my research focuses on quantum mechanical calculations of transition metals for modelling the chemical and physical properties of materials.

In 2012 I was awarded my PhD in Computational Biophysics from the University of Western Australia, Perth. As part of my PhD I have developed methods for integrating structural data from spectroscopy experiments into simulations to model the gating behavior of mechanosensitive ion channels that predicted the role of specific structural domains in the gating mechanism of the channel (Deplazes et. al, 2012). I also carried out fluorescence spectroscopy experiments to study the clustering of mechanosensitive channels (Nomura et. al. 2012). In addition, my PhD project focused on using molecular dynamics and Monte Carlo simulations to aid in the analysis and interpretation of FRET spectroscopy experiments (Deplazes et. al., 2011, Deplazes et. al 2012).


After my PhD I was awarded a Postdoctoral fellowship by the Swiss National Science Foundation to work in the research groups of Prof. Alan Mark (School of Chemistry and Molecular Biosciences, UQ) and Prof. Glenn King (Institute for Molecular Bioscience, UQ). This is a collaborative project that focuses on the use of computational methods to study the molecular interactions between venom-based peptides and their ion channel targets. In addition, I work on the development of computational approaches that in combination with data from optical and spectroscopy techniques can be used to study the lipid-binding properties of peptides. In 2014 I was awarded a NHMRC Early-Career Research Fellowship to continue my work on these projects.

In 2016 I moved to Curtin University where I work as a Research Fellow at the School of Biomedical Sciences. My research focuses primarily on the use and development of Molecular Dynamics techniques and in combination with spectroscopy experiments to study the interactions of peptides with biological membranes.


Research Interests

My main research focus is the development and use of computational methods to understand the structure and dynamic properties of biomolecular systems. In particular, I am interested in using molecular dynamics (MD) simulations and docking approaches to study the structure of membrane proteins and their interactions with peptides for aiding peptide-based drug design. This also includes the evaluation of docking methods for predicting peptide-protein complexes. I also use MD simulations in combination with data from experimental techniques such as surface plasmon resonance, vibrational spectroscopy and NMR to study the binding of peptides to membranes. In addition, I am interested in developing computational methods that enable researchers to make better use of the data from spectroscopy experiment with a particular focus on vibrational spectroscopy and fluorescence resonance energy transfer (FRET).


In my research I aim to combine computational approaches with experimental validation to develop methods that allow us to accurately describe the molecular interactions that govern the function of peptides and proteins. Only through rigorously validated methods can we take advantage of the predictive power of computational methods. When applied properly, computational methods are a powerful tool to gain insight into biological processes at the atomistic level and contribute to our understanding of normal physical functions and the molecular origins of diseases.


My research allows me to integrate my knowledge and skills in chemistry, structural biology and computer science. I am experienced in a range of molecular modelling techniques and theoretical approaches including quantum mechanical calculations, Monte Carlo simulations, molecular dynamics simulations, homology modelling and docking. I am also knowledgeable in many spectroscopy methods such as infrared (IR), Raman, and fluorescence spectroscopy.


Publications

Links to all my publications can be found on my Google Scholar profile