Article ; Online: Markov State Modeling Analysis Captures Changes in the Temperature-Sensitive N-Terminal and β-Turn Regions of the p53 DNA-Binding Domain.
Journal of chemical information and modeling
2022
Abstract: The transcription factor p53 is one of the most widely studied cancer proteins. Its temperature-sensitive nature suggests reduction in functionality at physiological temperatures. Temperature-induced conformational variations and their impact on its ... ...
Abstract | The transcription factor p53 is one of the most widely studied cancer proteins. Its temperature-sensitive nature suggests reduction in functionality at physiological temperatures. Temperature-induced conformational variations and their impact on its functional ability still remain unexplored. A total of 20.8 μs molecular dynamics simulations of wildtype p53 in the apo and the DNA-bound states have been performed at 300 K and 310 K. Further, Markov State Modeling (MSM) analyses were performed, considering C |
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Language | English |
Publishing date | 2022-05-25 |
Publishing country | United States |
Document type | Journal Article |
ZDB-ID | 190019-5 |
ISSN | 1549-960X ; 0095-2338 |
ISSN (online) | 1549-960X |
ISSN | 0095-2338 |
DOI | 10.1021/acs.jcim.2c00380 |
Database | MEDical Literature Analysis and Retrieval System OnLINE |
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