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Identification of chemical features for improved outer membrane permeation in mycobacteria using machine learning.

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Title: Identification of chemical features for improved outer membrane permeation in mycobacteria using machine learning.
Authors: Lepori I; Department of Microbiology, University of Massachusetts Amherst, Amherst, MA, USA. ilepori@umass.edu., Liu Z; Department of Chemistry, University of Virginia, Charlottesville, VA, USA., Evbarunegbe N; Manning College of Information and Computer Sciences, University of Massachusetts Amherst, Amherst, MA, USA., Feng S; Department of Biological Sciences, Lehigh University, Bethlehem, PA, USA.; Department of Bioengineering, Lehigh University, Bethlehem, PA, USA.; Merck Research Laboratories, Boston, MA, USA., Brown TP; Department of Biological Sciences, Lehigh University, Bethlehem, PA, USA.; Department of Bioengineering, Lehigh University, Bethlehem, PA, USA., Mane K; Department of Pharmacology, Physiology and Neuroscience, Rutgers University-New Jersey Medical School, Newark, NJ, USA., Dash R; Department of Chemistry, University of Virginia, Charlottesville, VA, USA., Shivangi; Department of Pharmacology, Physiology and Neuroscience, Rutgers University-New Jersey Medical School, Newark, NJ, USA., Wong M; Department of Microbiology, University of Massachusetts Amherst, Amherst, MA, USA., Naick A; Department of Chemistry, University of Virginia, Charlottesville, VA, USA., George A; Department of Pharmacology, Physiology and Neuroscience, Rutgers University-New Jersey Medical School, Newark, NJ, USA., Guo T; Institute of Translational Medicine, Zhangjiang Institute for Advanced Study, Shanghai Jiao Tong University, Shanghai, China., Shelke AM; Department of Pharmacology, Physiology and Neuroscience, Rutgers University-New Jersey Medical School, Newark, NJ, USA., Sharpless KB; Department of Chemistry, The Scripps Research Institute, La Jolla, CA, USA., Dong J; Institute of Translational Medicine, Zhangjiang Institute for Advanced Study, Shanghai Jiao Tong University, Shanghai, China., Freundlich JS; Department of Pharmacology, Physiology and Neuroscience, Rutgers University-New Jersey Medical School, Newark, NJ, USA. freundjs@rutgers.edu., Im W; Department of Biological Sciences, Lehigh University, Bethlehem, PA, USA. wonpil@lehigh.edu.; Department of Bioengineering, Lehigh University, Bethlehem, PA, USA. wonpil@lehigh.edu., Green AG; Manning College of Information and Computer Sciences, University of Massachusetts Amherst, Amherst, MA, USA. annagreen@umass.edu., Pires MM; Department of Chemistry, University of Virginia, Charlottesville, VA, USA. mp7aa@virginia.edu., Siegrist MS; Department of Microbiology, University of Massachusetts Amherst, Amherst, MA, USA. siegrist@umass.edu.; Molecular and Cellular Biology Graduate Program, University of Massachusetts Amherst, Amherst, MA, USA. siegrist@umass.edu.
Source: Nature microbiology [Nat Microbiol] 2026 Jun 30. Date of Electronic Publication: 2026 Jun 30.
Publication Type: Journal Article
Journal Info: Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101674869 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2058-5276 (Electronic) Linking ISSN: 20585276 NLM ISO Abbreviation: Nat Microbiol Subsets: MEDLINE
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  Data: <searchLink fieldCode="AU" term="%22Lepori+I%22">Lepori I</searchLink>; Department of Microbiology, University of Massachusetts Amherst, Amherst, MA, USA. ilepori@umass.edu.<br /><searchLink fieldCode="AU" term="%22Liu+Z%22">Liu Z</searchLink>; Department of Chemistry, University of Virginia, Charlottesville, VA, USA.<br /><searchLink fieldCode="AU" term="%22Evbarunegbe+N%22">Evbarunegbe N</searchLink>; Manning College of Information and Computer Sciences, University of Massachusetts Amherst, Amherst, MA, USA.<br /><searchLink fieldCode="AU" term="%22Feng+S%22">Feng S</searchLink>; Department of Biological Sciences, Lehigh University, Bethlehem, PA, USA.; Department of Bioengineering, Lehigh University, Bethlehem, PA, USA.; Merck Research Laboratories, Boston, MA, USA.<br /><searchLink fieldCode="AU" term="%22Brown+TP%22">Brown TP</searchLink>; Department of Biological Sciences, Lehigh University, Bethlehem, PA, USA.; Department of Bioengineering, Lehigh University, Bethlehem, PA, USA.<br /><searchLink fieldCode="AU" term="%22Mane+K%22">Mane K</searchLink>; Department of Pharmacology, Physiology and Neuroscience, Rutgers University-New Jersey Medical School, Newark, NJ, USA.<br /><searchLink fieldCode="AU" term="%22Dash+R%22">Dash R</searchLink>; Department of Chemistry, University of Virginia, Charlottesville, VA, USA.<br /><searchLink fieldCode="AU" term="%22Shivangi%22">Shivangi</searchLink>; Department of Pharmacology, Physiology and Neuroscience, Rutgers University-New Jersey Medical School, Newark, NJ, USA.<br /><searchLink fieldCode="AU" term="%22Wong+M%22">Wong M</searchLink>; Department of Microbiology, University of Massachusetts Amherst, Amherst, MA, USA.<br /><searchLink fieldCode="AU" term="%22Naick+A%22">Naick A</searchLink>; Department of Chemistry, University of Virginia, Charlottesville, VA, USA.<br /><searchLink fieldCode="AU" term="%22George+A%22">George A</searchLink>; Department of Pharmacology, Physiology and Neuroscience, Rutgers University-New Jersey Medical School, Newark, NJ, USA.<br /><searchLink fieldCode="AU" term="%22Guo+T%22">Guo T</searchLink>; Institute of Translational Medicine, Zhangjiang Institute for Advanced Study, Shanghai Jiao Tong University, Shanghai, China.<br /><searchLink fieldCode="AU" term="%22Shelke+AM%22">Shelke AM</searchLink>; Department of Pharmacology, Physiology and Neuroscience, Rutgers University-New Jersey Medical School, Newark, NJ, USA.<br /><searchLink fieldCode="AU" term="%22Sharpless+KB%22">Sharpless KB</searchLink>; Department of Chemistry, The Scripps Research Institute, La Jolla, CA, USA.<br /><searchLink fieldCode="AU" term="%22Dong+J%22">Dong J</searchLink>; Institute of Translational Medicine, Zhangjiang Institute for Advanced Study, Shanghai Jiao Tong University, Shanghai, China.<br /><searchLink fieldCode="AU" term="%22Freundlich+JS%22">Freundlich JS</searchLink>; Department of Pharmacology, Physiology and Neuroscience, Rutgers University-New Jersey Medical School, Newark, NJ, USA. freundjs@rutgers.edu.<br /><searchLink fieldCode="AU" term="%22Im+W%22">Im W</searchLink>; Department of Biological Sciences, Lehigh University, Bethlehem, PA, USA. wonpil@lehigh.edu.; Department of Bioengineering, Lehigh University, Bethlehem, PA, USA. wonpil@lehigh.edu.<br /><searchLink fieldCode="AU" term="%22Green+AG%22">Green AG</searchLink>; Manning College of Information and Computer Sciences, University of Massachusetts Amherst, Amherst, MA, USA. annagreen@umass.edu.<br /><searchLink fieldCode="AU" term="%22Pires+MM%22">Pires MM</searchLink>; Department of Chemistry, University of Virginia, Charlottesville, VA, USA. mp7aa@virginia.edu.<br /><searchLink fieldCode="AU" term="%22Siegrist+MS%22">Siegrist MS</searchLink>; Department of Microbiology, University of Massachusetts Amherst, Amherst, MA, USA. siegrist@umass.edu.; Molecular and Cellular Biology Graduate Program, University of Massachusetts Amherst, Amherst, MA, USA. siegrist@umass.edu.
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