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Member Profile

MERLOT Account Details

Abhijit Mitra

   MERLOT Contributor
IIIT Hyderabad
Email: Please log in to view contact information
Primary Discipline: Science and Technology / Chemistry / Biochemistry
Member Type: Faculty
Last Login: Feb 29, 2012
Member Since: Jul 20, 2003

View MERLOT Contributions:


International Institute of Information Technology, Hyderabad (Education, 4 Year/4 Year + Grad, Other, India) - Primary Affiliation

Contact Information

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Fax: Please log in to view contact information
Address: IIIT Hyderabad
Gachi Bowli
Hyderabad Andhra Pradesh 500032 India
Personal URL:
Professional URL:


English - speaking level (Superior) , reading level (Superior)

Skills and Interests

Education History

Master of Science (06/1973)
Indian Institute of Technology Kanpur
PhD (06/1980)
Indian Institute of Technology Kanpur


Professor (07/2002 - Current) Center for Computational Natural Sciences and Bioinformatics, International Institute of Information Technology Hyderabad


Chawla, M.; Sharma, P.; Halder, S.; et al.. (2011). Protonation of Base Pairs in RNA: Context Analysis and Quantum Chemical Investigations of Their Geometries and Stabilities.. in J Phys Chem B (115 (6), pp 1469–1484, DOI: 10.1021/jp106848h).
Chawla, M.; Sharma, P.; Halder, S.; et al.. (2010). On the role of Hoogsteen:Hoogsteen interactions in RNA: ab initio investigations of structures and energies.. in RNA (Volume: 16 Issue: 5 Pages: 942-57 DOI: 10.1261/rna.1919010).
Sharma, P.; Sponer, J. E.; Sponer, J.; et al.. (2010). On the role of the cis Hoogsteen:sugar-edge family of base pairs in platforms and triplets-quantum chemical insights into RNA structural biology.. in J Phys Chem B (Volume: 114 Issue: 9 Pages: 3307-20 DOI: 10.1021/jp910226e).
Sharma, P.; Sharma, S.; Mitra, A.; et al.. (2009). : A theoretical study on interaction of small gold clusters Au(n) (n = 4, 6, 8) with xDNA base pairs. in J Biomol Struct Dyn (Volume: 27 Issue: 1 Pages: 65-82).
Sharma, M.; Khanna, S.; Bulusu, G.; et al.. (2009). Comparative modeling of thioredoxin glutathione reductase from Schistosoma mansoni: a multifunctional target for antischistosomal therapy.. in Journal of Molecular Graphics and Modelling (Volume: 27 Issue: 6 Pages: 665-75).
Sharma, M.; Bulusu, G.; Mitra, A.. (2009). MD simulations of ligand-bound and ligand-free aptamer: molecular level insights into the binding and switching mechanism of the add A-riboswitch.. in RNA (Volume: 15 Issue: 9 Pages: 1673-92).
Sharma, P.; Sharma, S.; Chawla, M.; et al.. (2009). Modeling the noncovalent interactions at the metabolite binding site in purine riboswitches.. in J Mol Model (Volume: 15 Issue: 6 Pages: 633-49 DOI: 10.1007/s00894-008-0384-y).
Mládek, A.; Sharma, P.; Mitra, A.; et al.. (2009). Trans Hoogsteen/sugar edge base pairing in RNA. Structures, energies, and stabilities from quantum chemical calculations.. in J Phys Chem B (Volume: 113 Issue: 6 Pages: 1743-55 DOI: 10.1021/jp808357m).
Sharma, Purshotam; Singh, Harjinder; Mitra, Abhijit. (2008). Noncanonical Base Pairing in RNA: Topological and NBO Analysis of Hoogsteen Edge - Sugar Edge Interactions. in ICCS 2008 (Volume: 5102 Pages: 379-386).
Sharma, P.; Mitra, A.; Sharma, S.; et al.. (2008). Quantum chemical studies of structures and binding in noncanonical RNA base pairs: the trans Watson-Crick:Watson-Crick family.. in J Biomol Struct Dyn (Volume: 25 Issue: 6 Pages: 709-32).
Sharma, Purshotam; Mitra, Abhijit; Sharma, Sitansh; et al.. (2007). Base pairing in RNA: A computational analysis of structural aspects and interaction energies. in J. Chem. Sci. (Volume: 119 Issue: 5 Pages: 525-531 DOI: 10.1007/s12039-007-0066-9).
Bhattacharyya, D.; Koripella, S. C.; Mitra, A.; et al.. (2007). Theoretical analysis of noncanonical base pairing interactions in RNA molecules.. in J Biosci (Volume: 32 Issue: 5 Pages: 809-25 DOI: 10.1007/s12038-007-0082-4).
Das, J.; Mukherjee, S.; Mitra, A.; et al.. (2006). : Non-canonical base pairs and higher order structures in nucleic acids: crystal structure database analysis.. in J Biomol Struct Dyn (Volume: 24 Issue: 2 Pages: 149-61).
Rolf, Huisgen; Ulrich, Eichenauer; Elke, Langhals; et al.. (1987). 1, 3-Dipolare Cycloadditionen 92 Reaktionen aliphatischer Diazoverbindungen mit vierfach Acceptor-substituerten Ethylenen. in Chemische Berichte (Volume: 120 Pages: 153 - 158 DOI: 10.1002/cber.19871200206).
Ulrich, Eichenauer; Rolf, Huisgen; Mitra, Abhijit; et al.. (1987). The Reaction of Aliphatic Diazo Compounds with Highly Electrophilic Ethylene Derivatives. in Heterocycles (Volume: 25 Pages: 129 - 132).
Rolf, Huisgen; Mitra, Abhijit; Moran, Joaquin Rodriguez. (1987). 1, 3-Dipolare Cycloadditionen 93. Ueberraschungen bei der Umsetzung des 2,3-Dicyanfumarsaeure Dimethylesters mit Diazomethan. in Chemische Berischte (Volume: 120 Pages: 159 - 169 DOI: 10.1002/cber.19871200207).
Huisgen, Rolf; Mitra, Abhijit; Moran, Joaquin Rodriguez. (1986). The Astounding Reaction of Diazomethane with Dimethyl 2, 3-Dicyanofumarate. in Heterocycles (Volume: 24 Issue: 9 Pages: 2429 - 2436).
Mitra, Abhijit; Chauhan, Shiv M. S.; George, M. V.. (1980). Thermal and Photochemical transformations of 1-(arylazo)-N-arylidene-2-naphthylamines. in Journal of Organic Chemistry (Volume: 45 Issue: 16 Pages: 3182 - 3186 DOI: 10.1021/jo01304a008).
Manaparathu, V. George; Mitra, Abijit; Kulikat, B. Sukumaran. (1980). Thermal and photochemical transformations of hetro-1,3,5-hexatrienes into five –membered rings – possible pericyclic reactions. in Angawandte Chemie Internat. Ed. Engl. (Volume: 19 Issue: 12 Pages: 973 - 983 DOI: 10.1002/anie.198009731).
S.Satish,; Mitra, A.; George, M. V.. (1979). Reaction of 3,6-diphenyl-1,2,4,5-tetrazine with cis,cis-1,5-cyclooctadiee.An attempt at preparing some dihydropyridazine derivatives. in Tetrahedron (Volume: 35 DOI: 10.1016/S0040-4020(01)99495-5).