- Based in Philadelphia
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ALK_files_2021_PNAS
ALK_files_2021_PNAS PublicThis GitHub repo has folders required for setting up the Molecular Dynamics simulations, Metadynamics simulations, and a description of the post-processing codes that were used in the Patil et. al.…
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Covid_Drug_repurposing
Covid_Drug_repurposing PublicThis is my attempt to find repurposed drugs against COVID using computational techniques. NOTE: This is strictly an academic exercise and the results are totally not relevant to any clinical applic…
Jupyter Notebook 2
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webscrapping_ilincs
webscrapping_ilincs PublicThis repo contains webscrapping code that will take in list of drugs aimed at targetting Prostate Cancer disease and output the rank ordered list of them based on LINCS(http://www.ilincs.org/ilincs…
Jupyter Notebook 1
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MEK_kinase
MEK_kinase PublicThis GitHub repo has folders required for setting up the molecular dynamics simulations, metadynamics simulations, and post-processing codes for studies on MEK kinase and mutations
Jupyter Notebook 1
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Kinase_Resources
Kinase_Resources PublicThis consists of the code and structure resources for kinases
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