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A comprehensive computational study of Millets derived phytochemicals as potential inhibitors of NACHT domain of NLRP3 inflammasome: Molecular docking, molecular dynamics simulation, MM-PBSA free energy calculation and DFT analysis.

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Title: A comprehensive computational study of Millets derived phytochemicals as potential inhibitors of NACHT domain of NLRP3 inflammasome: Molecular docking, molecular dynamics simulation, MM-PBSA free energy calculation and DFT analysis.
Authors: Nalban, Nasiruddin1 nasiruddincsir@gmail.com, Wanjari, Manish1 manish.nriashrd@gmail.com, Matte, Sudhir1, Jamadagni, Pallavi1, Tamboli, Munaf1
Source: Indian Journal of Biochemistry & Biophysics. Apr2024, Vol. 61 Issue 4, p223-231. 9p.
Database: Academic Search Ultimate
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  Data: A comprehensive computational study of Millets derived phytochemicals as potential inhibitors of NACHT domain of NLRP3 inflammasome: Molecular docking, molecular dynamics simulation, MM-PBSA free energy calculation and DFT analysis.
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  Data: <searchLink fieldCode="AR" term="%22Nalban%2C+Nasiruddin%22">Nalban, Nasiruddin</searchLink><relatesTo>1</relatesTo><i> nasiruddincsir@gmail.com</i><br /><searchLink fieldCode="AR" term="%22Wanjari%2C+Manish%22">Wanjari, Manish</searchLink><relatesTo>1</relatesTo><i> manish.nriashrd@gmail.com</i><br /><searchLink fieldCode="AR" term="%22Matte%2C+Sudhir%22">Matte, Sudhir</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Jamadagni%2C+Pallavi%22">Jamadagni, Pallavi</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Tamboli%2C+Munaf%22">Tamboli, Munaf</searchLink><relatesTo>1</relatesTo>
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  Data: <searchLink fieldCode="JN" term="%22Indian+Journal+of+Biochemistry+%26+Biophysics%22">Indian Journal of Biochemistry & Biophysics</searchLink>. Apr2024, Vol. 61 Issue 4, p223-231. 9p.
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=asn&AN=182811281
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        Value: 10.56042/ijbb.v61i4.6776
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      – Code: eng
        Text: English
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      – TitleFull: A comprehensive computational study of Millets derived phytochemicals as potential inhibitors of NACHT domain of NLRP3 inflammasome: Molecular docking, molecular dynamics simulation, MM-PBSA free energy calculation and DFT analysis.
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              Text: Apr2024
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              Y: 2024
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