Rozita2

Rozita Laghaei, Ph.D.

Pittsburgh Supercomputing Center
Carnegie Mellon University
300 South Craig, Rm 401
Pittsburgh, PA 15213
Email: rlagha(at)psc.edu
Phone: (412) 268-1971
AZ1

http://www.andrew.cmu.edu/user/rlaghaer/index.html

https://www.researchgate.net/profile/Rozita_Laghaei/contributions

 

Current Research

My research focuses on using numerical and analytical techniques to understand chemical, physical, and biological phenomena. I use MCell modeling approach (http://www.mcell.org) to model frog and mouse synapses. We study the structural organization of active zones (AZs), particularly the density and organization of VGCCs with respect to release sensors on synaptic vesicles to better understanding of neuromuscular diseases.

The neuromuscular junction is a reliable synapse in which reliability derives from the summed activity of numerous unreliable elements, each consisting of a synaptic vesicle and associated voltage gated calcium channels (VGCCs).  We use a combination of electrophysiological recording and MCell computer modeling to examine structure-function relationships, the disease Lambert-Eaton myasthenic syndrome (LEMS) which is an autoimmune disease, and novel LEMS treatment strategies.

 

Other Projects

http://www.andrew.cmu.edu/user/rlaghaer/research.html

 

Publications

25. The influence of bond angle on thermophysical properties of three-center Lennard-Jones fluids: Computer simulation and theory
A. Eskandari Nasrabad and R. Laghaei (submitted)

24. Thermodynamic and transport properties of nitrogen fluid: Molecular theory and computer simulations
A Eskandari Nasrabad and Rozita Laghaei .
Chemical Physics 506 (2018) 36-44.  https://doi.org/10.1016/j.chemphys.2018.03.026

23. Transmitter release site organization can predict synaptic function at the neuromuscular junction.
Rozita Laghaei, Jun Ma, Tyler B. Tarr, Anne Homan, Lauren Kelly, Megha S. Tilvawala, Blake S. Vuocolo, Harini P. Rajasekaran, Stephen Meriney, Markus Dittrich
J. Neurophysiol. 2018 ;119(4):1340-1355 https://doi.org/10.1152/jn.00168.2017

22. The impact of spatio-temporal calcium dynamics within presynaptic active zones on synaptic delay at the frog neuromuscular junction
Anne E Homan, Rozita Laghaei, Markus Dittrich, Stephen D. Meriney
J. Neurophysiol. 2018 ;119(2):688-699, https://doi.org/10.1152/jn.00510.2017

21. Synergistic effects on calcium entry and transmitter release of a potassium channel blocker and a calcium channel gating modifier at the NMJ.
Laghaei R. Wu M. Puglionesi A. Tarr T. Dittrich M. Meriney SD. (2016) Society for Neuroscience.

20. Water and Ion Permeability of a Claudin Model: A Computational Study
Rozita Laghaei, Rob D. Coalson and Alan S. L. Yu
PROTEINS: Structure, Function, and Bioinformatics 2016, 84(3), 305-315

19. Early Oligomerization Stages for the Non-Amyloid Component of Alpha-Synuclein Amyloid
Cindie Eugène, Rozita Laghaei and Normand Mousseau
J. Chem. Phys. 2014, 141, 135103

18. Calculation of Iron Transport through Human H-chain Ferritin

Rozita Laghaei,William Kowallis, Deborah G. Evans and Rob D. Coalson
J. Phys. Chem. A. 2014, 118, 7442-7453

17. Metal Binding Sites of Human H-chain Ferritin and Iron Transport Mechanism to the Ferroxidase Sites: A Molecular Dynamics Simulation Study

Rozita Laghaei, Deborah G. Evans and Rob D. Coalson
Proteins: Structure, Function, and Bioinformatics, 2013, 81, 1042–1050.

16. Langevin Dynamics Simulation of 3D Colloidal Crystal Vacancies and Phase Transitions

Rozita Laghaei, Sanford A. Asher and Rob D. Coalson
J. Phys. Chem. B, 2013, 117, 5271–5279

15. Distinct dimerization for various alloforms of the Amyloid-beta protein: Aβ1-40, Aβ1-42 and Aβ1-40(D23N)

Sébastien Côté, Rozita Laghaei, Philippe Derreumaux and Normand Mousseau
J. Phys. Chem. B, 2012, 116, 4043-4055

14. Structure and thermodynamics of amylin dimer studied by Hamiltonian-temperature replica exchange molecular dynamics simulations

Rozita Laghaei, Normand Mousseau and Guanghong Wei
J. Phys. Chem. B, 2011, 115, 3146–3154

13. The Effect of Disulfide Bond on the Monomeric Structure of Human Amylin Studied by Combined Hamiltonian and Temperature Replica Exchange Molecular Dynamics Simulations

Rozita Laghaei, Normand Mousseau and Guanghong Wei
J. Phys. Chem. B, 2010, 114 , 7071

12. Spontaneous formation of polyglutamine nanotubes with molecular dynamics simulations

Rozita Laghaei and Normand Mousseau
J. Chem. Phys. 2010, 132, 165102

11. Replica Exchange Molecular Dynamics Simulations of Coarse-grained Proteins in Implicit Solvent

Yassmine Chebaro, Xiao Dong, Rozita Laghaei, Philippe Derreumaux and Normand Mousseau
J. Phys. Chem. B, 2008, 113, 267

10. Computational studies on thermodynamic properties, effective diameters, and free volume of argon using an ab initio potential

Afshin Eskandari Nasrabad and Rozita Laghaei
J. Chem. Phys. 2006, 125, 084510

9. Theoretical and computational investigations on thermodynamic properties, effective site diameters, and molecular free volume of carbon disulfide fluid

Afshin Eskandari Nasrabad and Rozita Laghaei
J. Chem. Phys. 2006, 125, 154505

8. Excluded volume in the generic van der Waals equation of state and the self-diffusion coefficient of the Lennard-Jones fluid

Rozita Laghaei, Afshin Eskandari Nasrabad, Byung chan Eu
J. Chem. Phys. 2006, 124, 154502

7. Molecular theory of thermal conductivity of the Lennard-Jones fluid

Afshin Eskandari Nasrabad, Rozita Laghaei, Byung chan Eu
J. Chem. Phys. 2006, 124, 084506

6. Generic van der Waals Equation of State, Modified Free Volume Theory of Diffusion, and Viscosity of Simple Liquids

Rozita Laghaei, Afshin Eskandari Nasrabad, Byung chan Eu
J. Phys. Chem. B, 2005, 109, 5873

5. Modified Free Volume Theory of Self-Diffusion and Molecular Theory of Shear Viscosity of liquid Carbon Dioxide

Afshin Eskandari Nasrabad, Rozita Laghaei, Byung chan Eu
J. Phys. Chem. B, 2005, 109, 8171

4. Statistical-mechanical theory of rheology: Lennard-Jones fluids

Rozita Laghaei, Afshin Eskandari Nasrabad, Byung chan Eu
J. Chem. Phys. 2005, 123, 234507

3. Pair Correlation Functions and the Self-Diffusion coefficient of Liquid in the Modified Free Volume Theory of Diffusion

Rozita Laghaei, Afshin Eskandari Nasrabad, Byung chan Eu
J. Phys. Chem. B, 2005, 109, 21375

2. Prediction of the thermophysical properties of pure neon, pure argon, and the binary mixtures neon-argon and argon-krypton by Monte Carlo simulation using ab initio potentials

Afshin Eskandari Nasrabad, Rozita Laghaei, Ulrich K. Deiters
J. Chem. Phys. 2004, 121, 6423

1. Calculation of Phase Equilibria of Quantum Gases at High Pressures

Rozita Laghaei
Universität zu Köln, Mathematische-Naturwissenschaftliche Fakultät, 2003 urn:nbn:de:hbz:38-7455