Taming Conformational Heterogeneity on Ion Racetrack to Unveil Principles that Drive Membrane Permeation of Cyclosporines
| Main Authors: | , , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
American Chemical Society
2024-03-01
|
| Series: | JACS Au |
| Online Access: | https://doi.org/10.1021/jacsau.4c00011 |
| _version_ | 1827276563114098688 |
|---|---|
| author | Miranda N. Limbach Edward T. Lindberg Hernando J. Olivos Lara van Tetering Carlos A. Steren Jonathan Martens Van A. Ngo Jos Oomens Thanh D. Do |
| author_facet | Miranda N. Limbach Edward T. Lindberg Hernando J. Olivos Lara van Tetering Carlos A. Steren Jonathan Martens Van A. Ngo Jos Oomens Thanh D. Do |
| author_sort | Miranda N. Limbach |
| collection | DOAJ |
| first_indexed | 2024-04-24T07:01:53Z |
| format | Article |
| id | doaj.art-48fcf5cbcc0a4d4b8eed361dc47cb17d |
| institution | Directory Open Access Journal |
| issn | 2691-3704 |
| language | English |
| last_indexed | 2024-04-24T07:01:53Z |
| publishDate | 2024-03-01 |
| publisher | American Chemical Society |
| record_format | Article |
| series | JACS Au |
| spelling | doaj.art-48fcf5cbcc0a4d4b8eed361dc47cb17d2024-04-22T07:44:42ZengAmerican Chemical SocietyJACS Au2691-37042024-03-01441458147010.1021/jacsau.4c00011Taming Conformational Heterogeneity on Ion Racetrack to Unveil Principles that Drive Membrane Permeation of CyclosporinesMiranda N. Limbach0Edward T. Lindberg1Hernando J. Olivos2Lara van Tetering3Carlos A. Steren4Jonathan Martens5Van A. Ngo6Jos Oomens7Thanh D. Do8Department of Chemistry, University of Tennessee, Knoxville, Tennessee, United StatesDepartment of Chemistry, University of Tennessee, Knoxville, Tennessee, United StatesWaters Corporation, Milford, Massachusetts, United StatesInstitute for Molecules and Materials, FELIX Laboratory, Radboud University, Nijmegen, The NetherlandsDepartment of Chemistry, University of Tennessee, Knoxville, Tennessee, United StatesInstitute for Molecules and Materials, FELIX Laboratory, Radboud University, Nijmegen, The NetherlandsAdvanced Computing for Life Sciences and Engineering Group, Science Engagement Section, National Center for Computational Sciences, Computing and Computational Sciences Directorate, Oak Ridge National Laboratory, Oak Ridge, Tennessee, United StatesInstitute for Molecules and Materials, FELIX Laboratory, Radboud University, Nijmegen, The NetherlandsDepartment of Chemistry, University of Tennessee, Knoxville, Tennessee, United Stateshttps://doi.org/10.1021/jacsau.4c00011 |
| spellingShingle | Miranda N. Limbach Edward T. Lindberg Hernando J. Olivos Lara van Tetering Carlos A. Steren Jonathan Martens Van A. Ngo Jos Oomens Thanh D. Do Taming Conformational Heterogeneity on Ion Racetrack to Unveil Principles that Drive Membrane Permeation of Cyclosporines JACS Au |
| title | Taming Conformational Heterogeneity on Ion Racetrack to Unveil Principles that Drive Membrane Permeation of Cyclosporines |
| title_full | Taming Conformational Heterogeneity on Ion Racetrack to Unveil Principles that Drive Membrane Permeation of Cyclosporines |
| title_fullStr | Taming Conformational Heterogeneity on Ion Racetrack to Unveil Principles that Drive Membrane Permeation of Cyclosporines |
| title_full_unstemmed | Taming Conformational Heterogeneity on Ion Racetrack to Unveil Principles that Drive Membrane Permeation of Cyclosporines |
| title_short | Taming Conformational Heterogeneity on Ion Racetrack to Unveil Principles that Drive Membrane Permeation of Cyclosporines |
| title_sort | taming conformational heterogeneity on ion racetrack to unveil principles that drive membrane permeation of cyclosporines |
| url | https://doi.org/10.1021/jacsau.4c00011 |
| work_keys_str_mv | AT mirandanlimbach tamingconformationalheterogeneityonionracetracktounveilprinciplesthatdrivemembranepermeationofcyclosporines AT edwardtlindberg tamingconformationalheterogeneityonionracetracktounveilprinciplesthatdrivemembranepermeationofcyclosporines AT hernandojolivos tamingconformationalheterogeneityonionracetracktounveilprinciplesthatdrivemembranepermeationofcyclosporines AT laravantetering tamingconformationalheterogeneityonionracetracktounveilprinciplesthatdrivemembranepermeationofcyclosporines AT carlosasteren tamingconformationalheterogeneityonionracetracktounveilprinciplesthatdrivemembranepermeationofcyclosporines AT jonathanmartens tamingconformationalheterogeneityonionracetracktounveilprinciplesthatdrivemembranepermeationofcyclosporines AT vanango tamingconformationalheterogeneityonionracetracktounveilprinciplesthatdrivemembranepermeationofcyclosporines AT josoomens tamingconformationalheterogeneityonionracetracktounveilprinciplesthatdrivemembranepermeationofcyclosporines AT thanhddo tamingconformationalheterogeneityonionracetracktounveilprinciplesthatdrivemembranepermeationofcyclosporines |