Center for Computational Natural Sciences and Bioinformatics
Chairperson Students Life Committee
International Institute of Information Technology, Hyderabad 500032, A.P.
Ph: +91-40-66531171(O)); +91-40-66531201(R); +91-9866406028(mobile);
Ph. D. 1980 Chemistry Indian Inst Tech (IIT) Kanpur
Thesis advisor: Prof M. V. George
Title: Thermal and photochemical transformations of a few azaheterotrienes and related studies
M. Sc. 1973 I class (1st Rank) Indian Inst Tech (IIT) Kanpur
B. Sc. (Hons) 1971 I class (2nd Rank) Indian Inst Tech (IIT) Kharagpur
Higher Secondary 1968 I class (5th Rank) WB Board of Secondary Education
2005 Professor, IIIT- Hyderabad
2002 Associate Professor, IIIT- Hyderabad
1991 Reader, Christ Church College, CSJM Kanpur University, Kanpur
1978 Lecturer, Christ Church College, CSJM Kanpur University, Kanpur
Institut für Organische Chemie, Universität München, Germany (February 1984 – January 1986)
Summer visiting teacher fellowship of the Indian Academy of Sciences (May – July, 2000) at NCBS Bangalore
National Science Talent Search Scholarship (1968-77)
Alexander von Humboldt Research Fellowship (1984-1986)
Publications (see also http://www.researcherid.com/rid/C-7713-2009)
Refereed Journal Publications (Recent)
Protonation of Base Pairs in RNA: Context Analysis and Quantum Chemical Investigations of Their Geometries and Stabilities: Mohit Chawla, Purshotam Sharma, Sukanya Halder, Dhananjay Bhattacharyya and Abhijit Mitra 2011 J. Phys.Chem. B, 115(6): 1469–1484.
On the Role of cis Hoogsteen : Sugar Edge Family of Base Pairs in Platforms and Triplets – Quantum Chemical Insights into RNA Structural Biology: Pushotam Sharma, Jiří Šponer, Judit E. Šponer, Sitansh Sharma, Dhananjay Bhattacharyya, Abhijit Mitra 2010 J. Phys.Chem. B, 114(9): 3307–3320.
On the Role of Hoogsteen:Hoogsteen Interactions in RNA – Ab Initio Investigations of Structures and Energies: Pushotam Sharma, Mohit Chawla, Sitansh Sharma and Abhijit Mitra 2010 RNA, 16: 942-95
A Theoretical Study on Interaction of Small Gold Clusters Aun (n = 4, 6, 8) with xDNA Base Pairs: Pushotam Sharma, Sitansh Sharma, Abhijit Mitra and Harjinder Singh 2009 J Biomol Struct. Dyn., 27, 65 82
MD simulations of ligand-bound and ligand-free aptamer: Molecular level insights into the binding and switching mechanism of the add A-riboswitch: Monika Sharma, Gopalakrishnan Bulusu and Abhijit Mitra 2009 RNA 15, 1673-1692
Trans Hoogsteen/Sugar Edge Base Pairing in RNA. Structures, Energies, and Stabilities from Quantum Chemical Calculations: Arnošt Mládek, Purshotam Sharma, Abhijit Mitra, Dhananjay Bhattacharyya, Jiří Šponer and Judit E. Šponer 2009 J.Phys.Chem.B, 113(6):1743-55
Modeling the Noncovalent interactions at the metabolite binding site in purine riboswitches: Purshotam Sharma, Sitansh Sharma, Mohit Chawla and Abhijit Mitra 2009 J. Mol. Model.15(6), 633-49
Comparative Modeling of Thioredoxin Glutathione Reductase from Schistosoma mansoni: A Multifunctional Target for Antischistosomial therapy: Monika Sharma, Smriti Khana, Gopalakrishnan Bulusu and Abhijit Mitra 2009 J. Mol. Graph. Model., 27(6),665-675
Noncanonical Base Pairing in RNA: Topological and NBO Analysis of Hoogsteen Edge - Sugar Edge Interactions: Purshotam Sharma, Harjinder Singh and Abhijit Mitra 2008 ICCS 2008 proceedings published as Lecture Notes in Computer Science LNCS Part II, 5102, 379-386
Quantum chemical studies of structures and interaction energies of RNA base pair: The Trans Watson Crick-Watson-Crick family: Purshotam Sharma, Abhijit Mitra, Sitansh Sharma, Harjinder Singh and Dhananjay Bhattacharyya 2008 J Biomol Struct. Dyn., 25, 709-732
Theoretical analysis of noncanonical base pairing interactions in RNA molecules; Dhananjay Bhattacharyya, Siv Chand Koripella, Abhijit Mitra, Vijay Babu Rajendran and Bhabdyuti Sinha 2007 J Biosci. 32(5) 809-825
Base pairing in RNA: A computational analysis of structural aspects and interaction energie; Purshotam Sharma, Abhijit Mitra, Sitansh Sharma and Harjinder Singh 2007 J. Chem. Sci. 119(5) 525-531
Non-canonical base pairs and higher order structures in nucleic acids: crystal structure database analysis; Jhuma Das, Shayantani Mukherjee, Abhijit Mitra and Dhananjay Bhattacharyya 2006 J Biomol Struct. Dyn., 24 149-162
Several abstracts in proceedings of several national and international conferences
List of Earlier Important Publications
The reaction of aliphatic diazo compounds with highly electrophilic ethylene derivatives. Ulrich Eichenauer, Rolf Huisgen, Abhijit Mitra and Joaquin Rodriguez Moran, Heterocycles, 25, 129 (1987)
1, 3-Dipolare Cycloadditionen 92 Reactionen aliphatischerdiazoverbindungen mit vierfach acceptor substituerten ethylenen. , Rolf Huisgen, Ulrich Eichenauer, Elke Langhals, Abhijit Mitra and Joaquin Rodriguez Moran, Chemische Berichte, 120, 153 (1987).
1, 3-Dipolare Cycloadditionen 93. Ueberraschungen bei der umsetzung des 2, 3-dicyanfumarsaeuere dimethylesteres mit diazomethane, Rolf Huisgen, Abhijit Mitra and Joaquin Rodriguez Moran, Chemische Berischte, 120, 159 (1987).
The Surprising reaction of diazomethane with dimethyl 2, 3-dicyanofumarate, Rolf Huisgen, Abhijit Mitra and Joaquin Rodriguez Moran, Heterocycles, 24, 2429 (1986).
Review : Thermal and photochemical transformations of hetro-1,3,5-hexatrienes into five –membered rings – possible pericyclic reactions, Manaparathu V. George, Abhijit Mitra and Kutikat B Sukumaran, Angew. Chem Internat.Ed. Engl. 19,973(1980).
Thermal and Photochemical transformations of 1-(arylazo)-N-arylidene-2-naphthylamines, Abhijit Mitra, Shiv M.S. Chauhan and M.V. George, J.Org. Chem.,35,3182(1980)
Reaction of 3,6-diphenyl-1,2,4,5-tetrazine with cis,cis-1,5-cyclooctadiene attempt at preparing some dihydropyridazine derivatives, S. Satish, A. Mitra and M.V. George, Tetrahedron, 35, 77 (1979)
An Experiment on Introducing Human Values Course in Undergraduate Curriculum of Engineering Education, Ramancharla Pradeep Kumar, Rajeev Sangal, Abhijit Mitra, Navjyoti Singh, Kamalakar Karlapalem, 2009 Northeast American Society of Engineering Education Conference, April 03-04,2009 University of Bridgeport.
The Nexus Between Computers and Modern Biology: The Changing Face of Scientific Research, Abhijit Mitra, Proceedings of "Computer Applications for the 21st century: Synergies and Vistas" 11-12 December 2008, Vidyasagar College, Kolkata Conference Sponsored by UGC, DST and CFSL,
Research projects awarded by DBT
BT/PR14715/PBD/16/903/2010: “Computational Core for Plant Metabolomics”
BT/PR-11429/BID/07/272/2008: “In silico understanding of structures, stability and dynamics of RNA riboswitches — energetics and MD simulations using QM and MM methods”
Two recently completed
BT/PR5767/PID/06/260/2005: “Development of Biosensor for Infectious Diseases”
BT/PR5451/07/111/2004: “Database of Quantum Chemical Interaction Energy and Geometric Meta Data for Non Canonical Base Pairs in Functional RNA Structures”
Research interests in areas of structural bioinformatics of RNA; electronic structure and properties, molecular modeling and molecular dynamics of biological systems;
Supervision of Ph.D students: One graduated, four in progress
Supervision of M.S by Research students: Five graduated and two in progress
Date of Birth: July 23, 1952, born and brought up in Kolkata
Marital status: Married with two children (Daughter 26 Yrs, Son 24 Yrs)
Updated September 2011