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Title: Roles of computational modelling in understanding p53 structure, biology, and its therapeutic targeting
Authors: Tan, Yaw Sing
Mhoumadi, Yasmina
Verma, Chandra Shekhar
Keywords: Science::Biological sciences
Issue Date: 2019
Source: Tan, Y. S., Mhoumadi, Y., & Verma, C. S. (2019). Roles of computational modelling in understanding p53 structure, biology, and its therapeutic targeting. Journal of Molecular Cell Biology, 11(4), 306-316. doi:10.1093/jmcb/mjz009
Series/Report no.: Journal of Molecular Cell Biology
Abstract: The transcription factor p53 plays pivotal roles in numerous biological processes, including the suppression of tumours. The rich availability of biophysical data aimed at understanding its structure–function relationships since the 1990s has enabled the application of a variety of computational modelling techniques towards the establishment of mechanistic models. Together they have provided deep insights into the structure, mechanics, energetics, and dynamics of p53. In parallel, the observation that mutations in p53 or changes in its associated pathways characterize several human cancers has resulted in a race to develop therapeutic modulators of p53, some of which have entered clinical trials. This review describes how computational modelling has played key roles in understanding structural-dynamic aspects of p53, formulating hypotheses about domains that are beyond current experimental investigations, and the development of therapeutic molecules that target the p53 pathway.
ISSN: 1674-2788
DOI: 10.1093/jmcb/mjz009
Schools: School of Biological Sciences 
Rights: © 2019 The Author(s). Published by Oxford University Press on behalf of Journal of Molecular Cell Biology, IBCB, SIBS, CAS. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (, which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:SBS Journal Articles

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