ACS Bio & Med Chem Au (Sep 2023)
Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors
- 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
Affiliations
- Mayako Michino
- Sanders Tri-Institutional Therapeutics Discovery Institute, New York, New York, United States
- Alexandre Beautrait
- Schrödinger, Inc., New York, New York, United States
- Nicholas A. Boyles
- Schrödinger, Inc., New York, New York, United States
- Aparna Nadupalli
- Schrödinger, Inc., Natick, Massachusetts, United States
- Alexey Dementiev
- Schrödinger, Inc., Natick, Massachusetts, United States
- Shan Sun
- Sanders Tri-Institutional Therapeutics Discovery Institute, New York, New York, United States
- John Ginn
- Sanders Tri-Institutional Therapeutics Discovery Institute, New York, New York, United States
- Leigh Baxt
- Sanders Tri-Institutional Therapeutics Discovery Institute, New York, New York, United States
- Robert Suto
- Schrödinger, Inc., Natick, Massachusetts, United States
- Ruslana Bryk
- Department of Microbiology and Immunology, Weill Cornell Medicine, New York, New York, United States
- Steven V. Jerome
- Schrödinger, Inc., New York, New York, United States
- David J. Huggins
- Sanders Tri-Institutional Therapeutics Discovery Institute, New York, New York, United States
- Jeremie Vendome
- Schrödinger, Inc., New York, New York, United States
- DOI
- https://doi.org/10.1021/acsbiomedchemau.3c00046
- Journal volume & issue
-
Vol. 3,
no. 6
pp. 507 – 515
Abstract
No abstracts available.
