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Machine Learning Models Identify Inhibitors of New Delhi Metallo-ß-lactamase.
Cheng, Zishuo; Aitha, Mahesh; Thomas, Caitlyn A; Sturgill, Aidan; Fairweather, Mitch; Hu, Amy; Bethel, Christopher R; Rivera, Dann D; Dranchak, Patricia; Thomas, Pei W; Li, Han; Feng, Qi; Tao, Kaicheng; Song, Minshuai; Sun, Na; Wang, Shuo; Silwal, Surendra Bikram; Page, Richard C; Fast, Walt; Bonomo, Robert A; Weese, Maria; Martinez, Waldyn; Inglese, James; Crowder, Michael W.
Affiliation
  • Cheng Z; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.
  • Aitha M; Division of Preclinical Innovation, National Center for Advancing Translational Sciences, National Institutes of Health, Rockville ,Maryland 20850, United States.
  • Thomas CA; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.
  • Sturgill A; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.
  • Fairweather M; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.
  • Hu A; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.
  • Bethel CR; Research Service, Louis Stokes Cleveland Department of Veterans Affairs Medical Center, Cleveland ,Ohio 44106, United States.
  • Rivera DD; Division of Chemical Biology and Medicinal Chemistry, College of Pharmacy, University of Texas, Austin ,Texas 78712, United States.
  • Dranchak P; Division of Preclinical Innovation, National Center for Advancing Translational Sciences, National Institutes of Health, Rockville ,Maryland 20850, United States.
  • Thomas PW; Division of Chemical Biology and Medicinal Chemistry, College of Pharmacy, University of Texas, Austin ,Texas 78712, United States.
  • Li H; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.
  • Feng Q; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.
  • Tao K; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.
  • Song M; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.
  • Sun N; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.
  • Wang S; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.
  • Silwal SB; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.
  • Page RC; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.
  • Fast W; Division of Chemical Biology and Medicinal Chemistry, College of Pharmacy, University of Texas, Austin ,Texas 78712, United States.
  • Bonomo RA; Research Service, Louis Stokes Cleveland Department of Veterans Affairs Medical Center, Cleveland ,Ohio 44106, United States.
  • Weese M; Departments of Medicine, Biochemistry, Molecular Biology and Microbiology, Pharmacology, and Proteomics and Bioinformatics, Case Western Reserve University School of Medicine, Cleveland ,Ohio 44106, United States.
  • Martinez W; Clinician Scientist Investigator, Louis Stokes Cleveland Department of Veterans Affairs Medical Center, Cleveland ,Ohio 44106, United States.
  • Inglese J; CWRU-Cleveland VAMC Center for Antimicrobial Resistance and Epidemiology (Case VA CARES) ,Cleveland ,Ohio 44106, United States.
  • Crowder MW; Department of Chemistry and Biochemistry, Miami University, Oxford ,Ohio 45056, United States.
J Chem Inf Model ; 64(10): 3977-3991, 2024 May 27.
Article in En | MEDLINE | ID: mdl-38727192
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Beta-Lactamases / Microbial Sensitivity Tests / Molecular Docking Simulation / Beta-Lactamase Inhibitors / Machine Learning Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2024 Document type: Article Affiliation country: Country of publication:
Fulltext
Add to My VHL
Print
XML
PubMed Links
Search on Google

Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Beta-Lactamases / Microbial Sensitivity Tests / Molecular Docking Simulation / Beta-Lactamase Inhibitors / Machine Learning Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2024 Document type: Article Affiliation country: Country of publication: