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Evaluation of interactions between the hepatitis C virus NS3/4A and sulfonamidobenzamide based molecules using molecular docking, molecular dynamics simulations and binding free energy calculations.

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Title: Evaluation of interactions between the hepatitis C virus NS3/4A and sulfonamidobenzamide based molecules using molecular docking, molecular dynamics simulations and binding free energy calculations.
Authors: Ren, Jinhong1,2, Vaid, Tasneem M.1, Lee, Hyun1,3, Ojeda, Isabel1, Johnson, Michael E.1, mjohnson@uic.edu
Source: Journal of Computer-Aided Molecular Design; Jan2023, Vol. 37 Issue 1, p53-65, 13p
Database: Applied Science & Technology Source
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Header DbId: aci
DbLabel: Applied Science & Technology Source
An: 161192032
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PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
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  Data: Evaluation of interactions between the hepatitis C virus NS3/4A and sulfonamidobenzamide based molecules using molecular docking, molecular dynamics simulations and binding free energy calculations.
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  Data: <searchLink fieldCode="AU" term="%22Ren%2C+Jinhong%22">Ren, Jinhong</searchLink><relatesTo>1,2</relatesTo><br /><searchLink fieldCode="AU" term="%22Vaid%2C+Tasneem+M%2E%22">Vaid, Tasneem M.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AU" term="%22Lee%2C+Hyun%22">Lee, Hyun</searchLink><relatesTo>1,3</relatesTo><br /><searchLink fieldCode="AU" term="%22Ojeda%2C+Isabel%22">Ojeda, Isabel</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AU" term="%22Johnson%2C+Michael+E%2E%22">Johnson, Michael E.</searchLink><relatesTo>1</relatesTo>, <i>mjohnson@uic.edu</i>
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Computer-Aided+Molecular+Design%22">Journal of Computer-Aided Molecular Design</searchLink>; Jan2023, Vol. 37 Issue 1, p53-65, 13p
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=aci&AN=161192032
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      – Type: doi
        Value: 10.1007/s10822-022-00490-1
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      – Code: eng
        Text: English
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        PageCount: 13
        StartPage: 53
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      – TitleFull: Evaluation of interactions between the hepatitis C virus NS3/4A and sulfonamidobenzamide based molecules using molecular docking, molecular dynamics simulations and binding free energy calculations.
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            NameFull: Ren, Jinhong
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            NameFull: Vaid, Tasneem M.
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            NameFull: Lee, Hyun
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            NameFull: Ojeda, Isabel
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            – D: 01
              M: 01
              Text: Jan2023
              Type: published
              Y: 2023
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              Value: 37
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