Taras Pogorelov
How amphotericin extracts sterols: role of dynamic structural ensembles
(bbez)Jan 2021 - Dec 2021
Sterol Extraction via Amphotericin: precision molecular changes drive kinetics
(bbca)Jan 2020 - Dec 2020
How Amphotericin, the antifungal drug of last resort, captures sterols: the good and the bad?
(baux)Aug 2018 - Dec 2019
2019
Abhishek Singharoy, Christopher Maffeo, Karelia H. Delgado-Magnero, David J.K. Swainsbury, Melih Sener, Ulrich Kleinekathöfer, John W. Vant, Jonathan Nguyen, Andrew Hitchcock, Barry Isralewitz, Ivan Teo, Danielle E. Chandler, John E. Stone, James C. Phillips, Taras V. Pogorelov, M. Ilaria Mallus, Christophe Chipot, Zaida Luthey-Schulten, D. Peter Tieleman, C. Neil Hunter, Emad Tajkhorshid, Aleksei Aksimentiev, and Klaus Schulten (2019): Atoms to Phenotypes: Molecular Design Principles of Cellular Energy Metabolism, Cell, Elsevier B.V., Vol 179, Num 5, pp1098-1111.e23
2019
Taras V. Pogorelov, Chad Rienstra, Martin Burke (2019): Amphotericin-Driven Sterol Extraction: Probing the Mechanism, 2019 Blue Waters Annual Report, pp316
Simulation reveals how bacterial organelle converts sunlight to chemical energy
Nov 14, 2019
Researchers used supercomputers to construct a 136 million-atom model of the chromatophore, a primitive light-harvesting structure in purple bacteria. The simulated organelle behaved just as it does in nature, the team reports.
Sources:
- https://news.illinois.edu/view/6367/804431
- https://www.sciencedaily.com/releases/2019/11/191114115845.htm
