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. |
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| 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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| ISSN: | 0920654X |
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| DOI: | 10.1007/s10822-022-00490-1 |
