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Sequence and Structural BioinformaticsComputational methods for biological sequence, structure and systems analysis. The use of Hidden Markov Models for functional identification of proteins has been pioneered through the development of HMM-ModE. Methods that improve small molecule docking scores, cheminformatics using data-mining methods, simulations of macromolecular systems and analysis of high-throughput data from biological experiments is the current focus of the lab in this area.The group is also actively involved in the CSIR-lead Open Source Drug Discovery (OSDD) project, within which the group manages responsibilities associated with the technical infrastructure and project management through the Technical, Science and Budget committees. The group supports OSDD access to grid infrastructure, and provides methods for target, as well as ligand, based lead identification.Currently we are working in the following areas•Automated Protein Functional Annotation•NGS data analysis•Biocomputing, CyberInfrastructure and Cloud Computing•Molecular Dynamic Simulations and Free Energy Calculations using Gromacs•Data mining in Chemoinformatics
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crossref(2024)
Ruiting Li,Ruhar Singh,Tara Kashav, ChunMin Yang,Ravi Datta Sharma,Andrew M. Lynn,Rajendra Prasad,Amresh Prakash,Vijay Kumar
FRONTIERS IN MOLECULAR NEUROSCIENCE (2022): 822863-822863
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