Centre for Computational Natural Sciences and Bioinformatics

Recent advances in computational power and computational methods have led to the paradigm of 'computational thinking' which takes applications of computer science far beyond mere programming and data management. Computational Natural Science provides newer methods for understanding the functioning of complex physical, chemical and biological systems.

Research in the area of computational natural sciences is an exciting and rapidly emerging career option for science graduates who have an aptitude for mathematics and computations. The domains of computational sciences and bioinformatics provide research challenges for both computer scientists as well as for researchers trained in basic sciences.

Subareas

1. Chemical dynamics and quantum electronic structure analyis
2. Computational studies of structures, interactions and dynamics of biomolecules such as proteins, RNA and DNA
3. Bioinformatics and systems biology: algorithm and database development for genomics, proteomics and metabolomics
4. Nanotechnology: Synthesis, Characterization and Surface Modification of Nanomaterials and Their Applications
5. Theoretical studies in chemical, biological and material science for simulating equilibrium and non-equlibrium processes

Teaching Programmes (associated with Computational Natural Sciences and Bioinformatics)

Under-graduate Programmes

1. Post B.Sc Dual Degree Program

Post-graduate Programmes

1. Post B.Sc Dual Degree Program
2. M.Tech in Bioinformatics
3. MS in Bioinformatics
4. MS in Computational Natural Sciences
5. Ph.D in Computational Natural Sciences or Bioinformatics

Major Funded Projects

1. Database of Quantum Chemical Interaction Energy and Geometric Meta Data for Non Canonical Base Pairs in Functional RNA structures (2006-2009) (Department of Biotechnology, Govt. of India)
2. Development of a Biosensor for infectious diseases (2005-2008) (DBT, GoI)
3. Electronic Structure and properties based analysis of the effects of the alternating backbone configuration on the secondary structure of furanoid sugar amino acids and related building blocks (2007-2010) (Department of Science and Technology, Govt. of India)
4. Theoretical Investigations of photochemistry and photophysics of DNA using metal nanoparticles (2008-2011) (DST, GoI)
5. Prediction and Modulation of the Stereochemical Course of Transannular Diels-Alder Reactions: Quantum Mechanical and Molecular Dynamics Studies (2009-2012) (DST, GoI)
6. Hybridization in DNA.RNA, DNA.LNA and LNA.RNA duplexes, and the sequence dependence on their structure, stability and dynamics – A molecular dynamics investigation (2009-2012) (Department of Atomic Energy, Government of India)
7. In Silico understanding of Structures, stability and dynamics of RNA riboswitches-energetics and MD simulations using QM and MM methods (2010-2013) (DBT, GoI)
8. Development of automatic methods for reaction coordinate inference for equilibrium and nonequilibrium processes (2010-2013) (DST, GoI)
9. Electronic structure theory based investigation of conformational behavior and secondary structures of substituted B-proline based peptides, conformational studies and biological evaluation (2011-2014) (DST, GoI)
10. Computational Studies on the Structure, Function, and Activity of RNase H from HIV-I (2011-14) (AICTE)
11. Modeling, molecular dynamics simulations, and computer aided drug design studies of viroporins, HIV-Vpu and SARS-CoV 3a (2011-2014) (DBT, GoI)
12. Computational Core for Plant Metabolomics (2011-2016) (DBT,GoI)
13. Identification of Critical Residues in Proteins using graph theoretic approaches (2011-2014) (Council of Scientific and Industrial Research, GoI)
14. Multi spiked Gold Nano particles and their site specific functionalization (2012-2015) (CSIR, GoI)
15. Nanospherical Plasmonic Nano-particles and photochemical Transformations (2012-2015) (DST, GoI)

Achievements

Others

1. Dr. U. Deva Priyakumar, Young Scientist Research Award (2009), Department of Atomic Energy (DAE).
2. Dr. U. Deva Priyakumar, AICTE Career Award for Young Teachers (2010)
3. Dr. U. Deva Priyakumar, Innovative Young Biotechnologist Award from Department of Biotechnology (IYBA-2010)
4. Dr. U. Deva Priyakumar, Young Associate of the Indian Academy of Sciences (2011-2014).
5. Dr. U. Deva Priyakumar, Indian National Science Academy (INSA) Young Scientist Medal in Chemical Sciences (2011)

Faculty

1. Prabhakar Bhimalapuram
2. Marimuthu Krishnan
3. Abhijit Mitra
4. Nita Parekh
5. U Deva Priyakumar
6. Tapan Kumar Sau
7. Harjinder Singh (Head)

Past Faculty

1. S V Ramanan

Adjunct Faculty

1. Gopalakrishnan Bulusu
2. Chanchal K Mitra
3. A Rameshwar
4. Naveena Yanamala

Students

1. Broto Chakrabarty
2. Bipin Singh
3. Bipin Singh
4. sree lakshmi
5. sree lakshmi
6. Cheerla Ramesh
7. P Kartheek
8. Preethi S P
9. Rama Krishna. I
10. Sandhya Rai
11. Shwetha Bharadwaj
12. Sohini Bhattacharya
13. T Rajitha Rajeshwar
14. K Mohan Maruthi Sena
15. Siladitya Padhi