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 :

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

Structural and functional characterization of DdrC, a novel DNA damage-induced nucleoid associated protein involved in DNA compaction
Anne-Sophie Banneville; Claire Bouthier de la Tour; Salvatore De Bonis; Cecilia Hognon; Jacques-Philippe Colletier; Jean-Marie Teulon; Aline Le Roy; Jean-Luc Pellequer; Antonio Monari; Francois Dehez; Fabrice Confalonieri; Pascale Servant; Joanna Timmins;
Nucleic Acids Research (2022) 50 (13): 7680-7696
Biochemical and Structural Characterization of Chi-Class Glutathione Transferases: A Snapshot on the Glutathione Transferase Encoded by sll0067 Gene in the Cyanobacterium Synechocystis sp. Strain PCC 6803
Eva Mocchetti; Laura Morette; Guillermo Mulliert; Sandrine Mathiot; Benoit Guillot; Francois Dehez; Franck Chauvat; Corinne Cassier-Chauvat; Celine Brochier-Armanet; Claude Didierjean; Arnaud Hecker;
Biomolecules (2022) 12 (10): 1466
Galvani Offset Potential and Constant-pH Simulations of Membrane Proteins
Olivier Bignucolo; Christophe Chipot; Stephan Kellenberger; Benoit Roux;
The Journal of Physical Chemistry B (2022) 23 (36): 6868-6877


- Renewal of the Laboratoire International Associé CNRS-University of Illinois at Urbana-Champaign on January 2021
- 新的分子动力学讲义 (Dissemination).
- Kudos to Margaret Blazhynska and Emma Goulard Coderc de Lacam on their DrEAM fellowship supporting their training in the Tajkhorshid and Gumbart research groups.


Laboratoire International Associé
Unité mixte de recherche n°7019
Université de Lorraine, B.P. 70239
54506 Vandoeuvre-lès-Nancy Cedex, France
Phone: +33(0)3 72 74 50 75
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