Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors
| Main Authors: | , , , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
American Chemical Society
2023-09-01
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| Series: | ACS Bio & Med Chem Au |
| Online Access: | https://doi.org/10.1021/acsbiomedchemau.3c00046 |
| _version_ | 1797384965950799872 |
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| author | Mayako Michino Alexandre Beautrait Nicholas A. Boyles Aparna Nadupalli Alexey Dementiev Shan Sun John Ginn Leigh Baxt Robert Suto Ruslana Bryk Steven V. Jerome David J. Huggins Jeremie Vendome |
| author_facet | Mayako Michino Alexandre Beautrait Nicholas A. Boyles Aparna Nadupalli Alexey Dementiev Shan Sun John Ginn Leigh Baxt Robert Suto Ruslana Bryk Steven V. Jerome David J. Huggins Jeremie Vendome |
| author_sort | Mayako Michino |
| collection | DOAJ |
| first_indexed | 2024-03-08T21:47:19Z |
| format | Article |
| id | doaj.art-99980f342df14d1c97670515cf35c114 |
| institution | Directory Open Access Journal |
| issn | 2694-2437 |
| language | English |
| last_indexed | 2024-03-08T21:47:19Z |
| publishDate | 2023-09-01 |
| publisher | American Chemical Society |
| record_format | Article |
| series | ACS Bio & Med Chem Au |
| spelling | doaj.art-99980f342df14d1c97670515cf35c1142023-12-20T08:10:41ZengAmerican Chemical SocietyACS Bio & Med Chem Au2694-24372023-09-013650751510.1021/acsbiomedchemau.3c00046Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase InhibitorsMayako Michino0Alexandre Beautrait1Nicholas A. Boyles2Aparna Nadupalli3Alexey Dementiev4Shan Sun5John Ginn6Leigh Baxt7Robert Suto8Ruslana Bryk9Steven V. Jerome10David J. Huggins11Jeremie Vendome12Sanders Tri-Institutional Therapeutics Discovery Institute, New York, New York, United StatesSchrödinger, Inc., New York, New York, United StatesSchrödinger, Inc., New York, New York, United StatesSchrödinger, Inc., Natick, Massachusetts, United StatesSchrödinger, Inc., Natick, Massachusetts, United StatesSanders Tri-Institutional Therapeutics Discovery Institute, New York, New York, United StatesSanders Tri-Institutional Therapeutics Discovery Institute, New York, New York, United StatesSanders Tri-Institutional Therapeutics Discovery Institute, New York, New York, United StatesSchrödinger, Inc., Natick, Massachusetts, United StatesDepartment of Microbiology and Immunology, Weill Cornell Medicine, New York, New York, United StatesSchrödinger, Inc., New York, New York, United StatesSanders Tri-Institutional Therapeutics Discovery Institute, New York, New York, United StatesSchrödinger, Inc., New York, New York, United Stateshttps://doi.org/10.1021/acsbiomedchemau.3c00046 |
| spellingShingle | Mayako Michino Alexandre Beautrait Nicholas A. Boyles Aparna Nadupalli Alexey Dementiev Shan Sun John Ginn Leigh Baxt Robert Suto Ruslana Bryk Steven V. Jerome David J. Huggins Jeremie Vendome Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors ACS Bio & Med Chem Au |
| title | Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors |
| title_full | Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors |
| title_fullStr | Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors |
| title_full_unstemmed | Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors |
| title_short | Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors |
| title_sort | shape based virtual screening of a billion compound library identifies mycobacterial lipoamide dehydrogenase inhibitors |
| url | https://doi.org/10.1021/acsbiomedchemau.3c00046 |
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