Vijayaraj Ramadoss 
Centre National de la Recherche Scientifique Postdoc

Phone :     +33-(0)3-83-68-43-96
Fax :         +33-(0)3-83-68-40-97
E-mail :     vijayaraj81@gmail.com

Biographical sketch

Vijayaraj RAMADOSS was born in Pondicherry, India in 1981. He received his bachelor’s degree in chemistry from the University of Madras in 2001. He worked as a chemist in a chemical industry from 2001 to 2003. He obtained his master’s degree in Bioinformatics from the University of Madras in 2005. He worked as a research assistant in a industry sponsored project for two years at CSIR-Central Leather Research Institute, Chennai. He received his PhD from the University of Madras under the guidance of Dr. V. Subramanian in 2013. He defended his PhD thesis entitled “Computational studies on the structure, stability and drug transport properties of cyclic peptide based nanotubes”. During his PhD, he spent two years at Ghent University as a Erasmus Mundus doctoral exchange student. He worked as a postdoctoral researcher in LAAS-CNRS and INSA-TOULOUSE during 2012-2014. In 2015, he joined as a CNRS postdoc in the group of Prof. Christophe Chipot. He is now focused on the free energy calculations on protein systems with a view to identify regions in the protein that could enhance the thermal stability upon mutation.

Research areas
Modeling of biomolecular interactions, Free energy calculations of biological systems. Computational redesigning of enzyme specificity, Multidimensional quantitative structure activity relationship.


Selected publications
  1. Vijayaraj, R.; Subramanian, V.; Chattaraj, P. K. Comparison of Global Reactivity Descriptors Calculated Using Various Density Functionals: A QSAR Perspective. Journal of Chemical Theory Computation 2009, 5(10), 2744–2753.
  2. Vijayaraj, R.; Lakshmi Vasavi Devi, M. ; Subramanian, V.; Chattaraj, P. K. 3D-QSAR studies on the inhibitory activity of trimethoprim analogues against Escherichia coli dihydrofolate reductase. Chemical biology & drug design 2012, 79(6), 935-942.
  3. Vijayaraj, R.; Van Damme, S.; Bultinck, P. ; Subramanian, V. Molecular Dynamics and Umbrella Sampling Study of Stabilizing Factors in Cyclic Peptide based Nanotubes. Journal of physical chemistry B 2012, 116(33), 9922-9933.
  4. Vijayaraj, R.; Van Damme, S.; Bultinck, P. ; Subramanian, V. Structure and Stability of Cyclic Peptide Based Nanotubes: a molecular dynamics study of the influence of amino acid composition. Physical Chemistry Chemical Physics 2012, 14, 15135-15144.
  5. Vijayaraj, R.; Van Damme, S.; Bultinck, P. ; Subramanian, V. Theoretical studies on the transport mechanism of 5-Fluorouracil through cyclic peptide based nanotubes. Physical Chemistry Chemical Physics 2013, 15, 1260-1270.

Recent publications


The lubricating role of water in the shuttling of rotaxanes
Haohao Fu; Xueguang Shao; Christophe Chipot; Wensheng Cai;
Chem. Sci. (2017) 139 (7): 293-5094

The Extended Generalized Adaptive Biasing Force Algorithm for Multidimensional Free-Energy Calculations
Tanfeng Zhao; Haohao Fu; Tony Lelievre; Xueguang Shao; Christophe Chipot; Wensheng Cai;
Journal of Chemical Theory and Computation (2017) 13 (4): 1566-1576

Tribute to Klaus Schulten
Emad Tajkhorshid; Christophe Chipot;
The Journal of Physical Chemistry B (2017) 121 (15): 3203-3205

News

- Renewal of the Laboratoire International Associé CNRS-University of Illinois at Urbana-Champaign on November 2016
- An update of ParseFEP is available in the latest version of VMD.
- 新的分子动力学讲义 (Dissemination).
 

Contact

Laboratoire International Associé
CNRS-UIUC
Unité mixte de recherche n°7565
Université de Lorraine, B.P. 70239
54506 Vandoeuvre-lès-Nancy Cedex, France
 
Phone: +33.(0)3.83.68.40.97
Fax: +33.(0)3.83.68.43.87
 
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