LIST OF PUBLICATIONS IN INTERNATIONAL JOURNALS (Chronologically reverse)

  
1.	Design of fluorinated sialic acid analog inhibitor to H5 hemagglutinin of H5N1 influenza virus through molecular dynamics simulation study
R. A. Jeyaram, C. Anu Radha, M. M. Gromiha and K. Veluraja
Journal of Biomolecular Structure and Dynamics, October 2019 – In Press 

2.	Investigation on the binding specificity of Agrocybe cylindracea galectin towards a(2,6)-linked sialyllactose by molecular modeling and molecular dynamics simulations
P. Parasuraman, J. F. A. Selvin, M. M. Gromiha, K. Fukui and K. Veluraja
Journal of Carbohydrate Chemistry, June 2019 – In Press

3.	Molecular dynamics simulation studies on influenza A virus H5N1 complexed with sialic acid and fluorinated sialic acid
R. A. Jeyaram, T. R. K. Priyadarzini, C. Anu Radha, N. R. S. Shanmugam, C. Ramakrishnan, M. M. Gromiha and K. Veluraja
Journal of Biomolecular Structure and Dynamics, (2019) 37, 4813–4824. 

4.	Three Dimensional Structures of Carbohydrates and Glycoinformatics: An Overview. In: Wadhwa G., Shanmughavel P., Singh A., Bellare J. (eds)
K. Veluraja, J. F. A Selvin, A. Jasmine, T. H. T. Christlet
Current trends in Bioinformatics: An Insight, (2018) Springer, Singapore. 

5.	Ab-initio calculation for cation vacancy formation energy in anti-fluorite structure
V. P. S. A. Saleel, D. Chitra, K. Veluraja, R. D. Eithiraj
AIP Conference Proceedings, (2018) 1942, 090006.

6.	Identification and Analysis of Key Residues Involved in Folding and Binding of Protein-carbohydrate Complexes
N. R. S. Shanmugam, J. F. A. Selvin, K. Veluraja, M. M. Gromiha
Protein and peptide letters, (2018) 25, 379-389. 	

7.	Theoreticalinvestigation on the binding specificity of fluorinated sialyldisaccharides Neu5Aca(2-3)Gal and Neu5Aca(2-3)Gal with influenza hemagglutinin H1 – A Molecular Dynamics study
V. Murugan, P. Parasuraman, J. F. A Selvin, M. M Gromiha, K. Fukui and K. Veluraja
Journal of Carbohydrate Chemistry, (2017), 36, 111 – 128.	

8.	Physical and mechanical properties of jute fiber and jute fiber reinforced paper bag with tamarind seed gum as a binder – An eco–friendly material
S. Arunavathi, R. D. Eithiraj and K. Veluraja
AIP Conference Proceedings, (2017), 1832, 040026  

9.	Genetic and Proteomic Sequence Analysis for the Theoritical Prediction of O – Glycosylation Sites in Proteins
Jasmine A, and Veluraja K.
Journal of Applied Bioinformatics & Computational Biology, (2017), 6(1) doi: 10.4172/2329-9533.1000132 

10.	Physical properties of Plant fibers (Sisal, Coir) and its composite material with Tamarind seed Gum as Low – cost Housing Material 
A.V. Kiruthika and K. Veluraja
Journal of Natural Fibers, (2017), 14, 801-813

11.	Geometry Optimization of Carbohydrate Binding Sites of Influenza: A Quantum Mechanical Approach
V. Murugan, P. Parasuraman, J. F. A. Selvin and K. Veluraja
Journal of Carbohydrate Chemistry, (2015), 34, 409-429.	
		
12.	Theoretical investigation on the glycon – binding specificity of Agrocybe cylindracea  galectin using molecular modeling and molecular dynamics simulation studies
P. Parasuraman V. Murugan, J. F. A. Selvin, M. M. Gromiha, K. Fukui and K. Veluraja
Journal of Molecular Recognition, (2015),28,528-538.

13.	Insights into the binding specificity of wild type and mutated wheat germ agglutinin towards Neu5Aca(2-3)Gal: A study by in silico mutations and molecular dynamics simulations.
P. Parasuraman, V. Murugan, J. F. A. Selvin, M. M. Gromiha, K. Fukui and K. Veluraja
Journal of Molecular Recognition, (2014), 27, 482-92.

14.	Identification and Analysis of Binding Site Residues in Proteincarbohydrate Complexes using Energy Based Approach
M. Gromiha, K. Velurajaand K. Fukui
Protein and Peptide Letters, (2013), 21, 799-807. 	

15.	Molecular Modelling and Molecular Dynamics Studies of GD1A, GD1B and their complexes with BoNT/B-Perspectives in interaction and specificity
S. Venkateshwari and K. Veluraja
Journal of Structural Biology, (2012), 18, 497-508.  

16.	Theoretical investigation on the binding specificity of sialyldisaccharides with Hemagglutinins  
	of Influenza A virus by MD simulations 
 	Thanu R. K. Priyadarzini, Jeyasigamani  F. A. Selvin, M. Michael Gromiha,          
 	Kazuhiko Fukui and Kasinadar Veluraja
	The Journal of Biological Chemistry (2012) 287, 34547-34557.

17.	Sialyldisaccharide conformations: A molecular dynamics perspective
	Selvin JFA, Priyadarzini TRK and Veluraja K                                                       
	Journal of Computer Aided Molecular Design (2012) 26, 375-385.

18.	Conformational analysis of GT1B ganglioside and its interaction with Botulinum Neurotoxin    
 	type B – A study by Molecular Modelling and Molecular Dynamics
 	S. Venkateshwari and K. Veluraja
 	Journal of Biomolecular Structure and Dynamics (2012) 30, 255-268.                    

19.	Molecular Dynamics Simulations and Quantum Mechanical Calculations on a-D-N- 
	acetylneuraminic acid
	T.R.K. Priyadarzini, B. Subashini, J. Fermin Angelo Selvin and K. Veluraja
 	Carbohydrate Research (2012) 351, 93-97.                                                          .

20.	Preparation, Properties and Application of Tamarind Seed Gum Reinforced Banana Fibre  
	Composite Materials
	Amirthalingam V. Kiruthika, Thanu R. K. Priyadarzini and Kasinadar Veluraja
 	Fibers and Polymers (2012) 13, 51-56.                                                               

21.	 Structural Investigation of Porcine Stomach Mucin by X-Ray Fiber Diffraction and
   	 Homology Modeling     								 		    
   	 K. Veluraja, K. N. Vennila, K. Umamakeshvari, A. Jasmine and D. Velmurugan
     Biochemical and Biophysical Research Communication (2011)404, 570-573.

22.	3DSDSCAR: A Three Dimensional Structural Database for Sialic Acid containing
    Carbohydrates through Molecular Dynamics Simulation
   	K Veluraja, J Fermin Angelo Selvin, S Venkateshwari and TRK Priyadarzini
    Carbohydrate Research (2010) 345, 2030-2037.                                            

23.	Molecular Dynamics Simulation Studies on Sialic acid and its Acetylated derivatives and   
    their Interaction with Vibrio Cholera Neuraminidases
    T. R. K. Priyadarzini, J. Fermin Angelo Selvin and K. Veluraja
    IACSIT Spring Conference (2009)550-554.

24.	Experimental Studies on the Physico-Chemical Properties of Banana Fibres from Various
   	Varieties   A.V. Kiruthika and K. Veluraja
    Fibers and Polymers (2009)10, 193-199.                                                           

25.	Dynamics of sialyllewisa in aqueous solution and Prediction of the structure of   
    sialyllewisa –  SelectinE complex
    K. Veluraja and A. N. Seethalakshmi
    Journal of Theoretical Biology (2008) 252, 15-23.                                                

26. Conformations of higher gangliosides and their binding with cholera toxin – Investigation by 
	Molecular modelling, molecular mechanics and molecular dynamics.
 	D. Jeya Sundara Sharmila and K. Veluraja
    Journal of Biomolecular Structure and Dynamics (2006) 24, 641-656.                

27. Conformational dynamics of sialyllewisx in aqueous solution and its interaction with
	SelectinE–A study by Molecular Dynamics
	K. Veluraja and C.J. Margulis
	Journal of Biomolecular Structure and Dynamics (2005), 23, 101-111.                 

28. Disialogangliosides and their interaction with cholera toxin – Investigation by molecular 
    modelling, molecular mechanics and molecular dynamics.
	D. Jeya Sundara Sharmila and K. Veluraja
	Journal of Biomolecular Structure and Dynamics (2004) 22, 299-313. 
             
29. Monosialogangliosides and their interaction with cholera toxin – Investigation by molecular 
	modelling and molecular mechanics
	D. Jeya Sundara Sharmila and K. Veluraja
	Journal of Biomolecular Structure and Dynamics (2004) 21, 591-613.                
	
30. Conformations of terminal sialyloligosaccharide fragments - A molecular dynamics study
	M. Xavier Suresh and K. Veluraja
	Journal of Theoretical Biology (2003) 222, 389-402.   
                                      
31. Atomic Resolution (0.98A) Structure of	Eosinophil Derived Neurotoxin
	G.J. Swaminathan, D.E. Holloway, K. Veluraja and K.R. Acharya
	Biochemistry (2002) 41, 3341-3352.  
                                                               
32. Molecular modeling of sialyloligosaccharides into the active site of Influenza virus N9 neuraminidase
	K. Veluraja, M. Xavier Suresh, T. Hema Thanka Christlet and Z.A. Rafi
	Journal of Biomolecular Structure and Dynamics (2001) 19, 33-45.  
                    
33.	A database analysis of O-glycosylation sites in proteins
	T. Hema Thanka Christlet and K. Veluraja
	Biophysical Journal (2001) 80, 952-960.                                                             

34. An analysis of the Complex Carbohydrate Structure Database
	T. Hema Thanka Christlet, M. Biswas and K. Veluraja
    Trends in Carbohydrate Chemistry (2000) 6, 45-57.

35. Molecular modeling of disaccharide fragments into the active site of 	Vibrio cholerae neuraminidase.
	M. Xavier Suresh and K. Veluraja
    Trends in Carbohydrate Chemistry (2000) 6, 31-44.

36. Generation of deviation parameters for amino acid singlets, doublets and triplets from three 
	Dimensional structures of proteins and its implications 	in secondary structure prediction from 
	Amino acid sequences: A database analysis
	S. A. Mugilan and K. Veluraja
	Journal of Biosciences (2000) 25, 81-91  
                                                             
37. A database analysis of glycosylation sites in proteins
	T. Hema Thanka Christlet and K. Veluraja
	Journal of Biosciences (1999) 24/S1, 170                                                             

38. Molecular modelling of disaccharide fragments of sialyloligosaccharides into the active
	Site of influenza A subtype N9 neuraminidase enzyme
	K. Veluraja, T. Hema Thanka Christlet and M. Xavier Suresh
	Journal of Biosciences (1999) 24/S1, 144                                                            

39. A database analysis of potential glycosylating Asn-X-Ser/ Thr consensus sequences
	T. Hema Thanka Christlet, M. Biswas and K. Veluraja
	Acta Cryst. (1999) D55, 1414 – 1420                                                                  

40. Refined crystal structures of native human angiogenin and two active site variants: Implications 
	For the unique functional properties of an enzyme involved in neovascularisation during 
	tumour Growth.
	Demetres D. Leonidas, Robert Shapiro, Simon C. Allen, Gowtham V. Subbarao,   	K. Veluraja and K. Ravi Acharya
	Journal of Molecular Biology (1999) 285, 1209 –1233 
                                          
41. Preparation of Gum from Tamarind seed - and its application in the preparation of 
	composite material with sisal fibre.
	K. Veluraja, S. Ayyalnarayanasubburaj and A. J. Paulraj 
    Carbohydrate Polymers (1997) 34, 377 - 379                                                       

42. Amino acid doublets and triplets in protein sequences - A database analysis
	K. Veluraja and S. A. Mugilan
    Current Science (1997) 72, 572-577                                                                   

43. Molecular modelling of N-terminal region of human cardiac myosin light chain2 induced during cardiac hypertrophy
	K, Kannan, G. Jegadeesh Babu, K. Veluraja and C. Rajamanickam
	Current Science (1995) 68, 819-825.                                                                  

44. Structural and Morphological investigations on Nylon8 chain folded lamellar crystals
	E.D.T. Atkins, M. Hill and K. Veluraja
	Polymer (1995) 36, 35 - 42.                                                                               

45. Homorepeats of aminoacids in proteins - A data base search
	K. Veluraja and S. Priyadarshini
	Current Science (1993) 65, 633 - 636.                                                               

46. Glucose analogue inhibitors of glycogen phosphorylase: The design of potential drugs   
    for Diabetes
	L. Martin, K. Veluraja, K. Ross, L. N. Johnson, G.W.J. Fleet, N.G.A.Ramsden, I.  Bruce,
	M. G. Orchard, N. G. Oikonomako, A.C. Papageorgiou, D. D. Leonidas and H. S. Tsitoura
    Biochemistry (1991) 30, 10101 - 10116.                                                              

47. Electron microscopic study of guluronate - rich alginate
	K. Veluraja and E. D. T. Atkins
    Carbohydrate Research (1989) 187, 313 - 316.                                                   

48.	Selective area electron diffraction from the galactomannan of Guar gum.
  	K. Veluraja and E. D. T. Atkins
  	Carbohydrate Research (1988) 183, 131 - 134.                                                 

49. Helical structure of B (1-3) xylan and the water mediated hydrogen bonding schemes
  	K. Veluraja and E. D. T. Atkins
    Carbohydrate Polymers (1987) 7, 133 - 141.                                                     

50. Studies on the conformations of sialyloligosaccharides and the implications on the  
    Binding Specificity of neuraminidase enzymes
 	K. Veluraja and V. S. R. Rao
  	Journal of Biosciences (1984) 6, 625 - 634.                                                        

51. Theoretical studies on the conformation of higher gangliosides
 	K. Veluraja and V. S. R. Rao
 	Carbohydrate Polymers (1984) 4, 357 - 375.                                                       

52. Theoretical studies on the conformation of monosialogangliosides and  disialogangliosides
	K. Veluraja and V. S. R. Rao
	Carbohydrate Polymers (1983) 3, 175 - 192.                                                      

53. Theoretical studies on the conformation of B-D-N-acetyl neuraminic acid (Sialic acid)
	K. Veluraja and V. S. R. Rao         
	Biochemica et Biophysica Acta (1980) 630, 442 - 446.