0000-0002-0709-7461 Employment
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Centre for Development of Advanced Computing Joint Director2020 - Present
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Centre for Development of Advanced Computing Principal Technical Officer2015 - 2020
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Centre for Development of Advanced Computing Senior Technical Officer2011 - 2015
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Centre for Development of Advanced Computing Technical Officer2008 - 2011
Education
Education history is unavailable.
Projects & Funding
Projects & funding information is unavailable.
Publications (17)
- Unique Microswitches Positioned Extracellular to the Orthosteric Binding Site Initiate Activation in the β1-Adrenergic Receptor Save
- Comparative Analysis of Algorithms for Extracting Frames from Unexplored Regions in Molecular Dynamics Simulations Save
- Markov State Modeling Analysis Captures Changes in the Temperature-Sensitive N-Terminal and β-Turn Regions of the p53 DNA-Binding Domain Save
- Structural insight into the binding interactions of NTPs and nucleotide analogues to RNA dependent RNA polymerase of SARS-CoV-2 Save
- Understanding the binding affinities between SFRP1CRD, SFRP1Netrin, Wnt5B and frizzled receptors 2, 3 and 7 using MD simulations Save
- Molecular dynamics of hERG channel: insights into understanding the binding of small molecules for detuning cardiotoxicity Save
- A Deep Dive into the Conformational Dynamics of CYP3A4 : Understanding the Binding of Homotropic and Non-homotropic Ligands for Mitigating Drug-Drug interaction (DDI) Save
- Natural plant products as potential inhibitors of RNA dependent RNA polymerase of Severe Acute Respiratory Syndrome Coronavirus-2 Save
- An insight into the inhibitory mechanism of phytochemicals and FDA-approved drugs on the ACE2–Spike complex of SARS-CoV-2 using computational methods Save
- Drug repurposing studies targeting SARS-CoV-2: an ensemble docking approach on drug target 3C-like protease (3CLpro) Save