Structural evolution and dynamics of the p53 proteins

G Chillemi, S Kehrloesser… - Cold Spring …, 2017 - perspectivesinmedicine.cshlp.org
The family of the p53 tumor suppressive transcription factors includes p73 and p63 in
addition to p53 itself. Given the high degree of amino-acid-sequence homology and …

From mutational inactivation to aberrant gain‐of‐function: unraveling the structural basis of mutant p53 oncogenic transition

FA Olotu, MES Soliman - Journal of Cellular Biochemistry, 2018 - Wiley Online Library
Various evidence has revealed that mutations in p53 exert activities that go beyond simply
inactivation of wildtype functions but rather elicits downstream interactions that promote …

Most probable druggable pockets in mutant p53-Arg175His clusters extracted from Gaussian accelerated molecular dynamics simulations

M Mustafa, M Gharaibeh - The Protein Journal, 2022 - Springer
Abstract p53, a tumor suppressor protein, is essential for preventing cancer development.
Enhancing our understanding of the human p53 function and its modifications in …

Network Analysis of Molecular Dynamics Sectors in the p53 Protein

JD Fabry, KM Thayer - ACS omega, 2022 - ACS Publications
Design of allosteric regulators is an emergent field in the area of drug discovery holding
promise for currently untreated diseases. Allosteric regulators bind to a protein in one …

Investigating Conformational dynamics and allostery in the p53 DNA-binding domain using molecular simulations

E Papaleo - Allostery: Methods and Protocols, 2021 - Springer
The p53 tumor suppressor is a multifaceted context-dependent protein, which is involved in
multiple cellular pathways, with the ability to either keep the cells alive or to kill them through …

Computational investigation of the DNA binding domain of p53: a drive towards novel therapeutics

MP Criddle - 2017 - eprints.soton.ac.uk
Proteins are biopolymeric macromolecules that are integral to the survival of all organisms.
They have a plethora of functions, including structural, transport and storage. A series of 20 …

[CITATION][C] Machine Learning on the Free Energy Landscape of p53: Analyzing Protein Rescue Using Neural Networks

N Kemal - 2023 - Wesleyan University

[CITATION][C] Target Specific Drug Design with Deep Reinforcement Learning

TB Sternlieb - 2022 - Wesleyan University

[CITATION][C] Computational construction of A P53 tetrameric structure

K Thayer, C Carpenter - MOJ Proteom Bioinform, 2016