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[HTML][HTML] Studies on molecular dynamics of intrinsically disordered proteins and their fuzzy complexes: a mini-review
The molecular dynamics (MD) method is a promising approach toward elucidating the
molecular mechanisms of intrinsically disordered regions (IDRs) of proteins and their fuzzy …
molecular mechanisms of intrinsically disordered regions (IDRs) of proteins and their fuzzy …
Structural evolution and dynamics of the p53 proteins
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 …
addition to p53 itself. Given the high degree of amino-acid-sequence homology and …
Roles of computational modelling in understanding p53 structure, biology, and its therapeutic targeting
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 …
the suppression of tumours. The rich availability of biophysical data aimed at understanding …
Folding and structural polymorphism of p53 C-terminal domain: One peptide with many conformations
Abstracts Proteins of the p53 family are best known for their role in the regulation of cell
cycle. The p53 protein, as a model system, has been extensively explored in numerous …
cycle. The p53 protein, as a model system, has been extensively explored in numerous …
Binding of two intrinsically disordered peptides to a multi-specific protein: a combined Monte Carlo and molecular dynamics study
The unique ability of intrinsically disordered proteins (IDPs) to fold upon binding to partner
molecules makes them functionally well-suited for cellular communication networks. For …
molecules makes them functionally well-suited for cellular communication networks. For …
Molecular dynamics of the full-length p53 monomer
The p53 protein is frequently mutated in a very large proportion of human tumors, where it
seems to acquire gain-of-function activity that facilitates tumor onset and progression. A …
seems to acquire gain-of-function activity that facilitates tumor onset and progression. A …
Variation of free‐energy landscape of the p53 C‐terminal domain induced by acetylation: Enhanced conformational sampling
The C‐terminal domain (CTD) of tumor suppressor protein p53 is an intrinsically disordered
region that binds to various partner proteins, where lysine of CTD is acetylated …
region that binds to various partner proteins, where lysine of CTD is acetylated …
Molecular dynamic simulation insights into the normal state and restoration of p53 function
As a tumor suppressor protein, p53 plays a crucial role in the cell cycle and in cancer
prevention. Almost 50 percent of all human malignant tumors are closely related to a …
prevention. Almost 50 percent of all human malignant tumors are closely related to a …
Long range recognition and selection in IDPs: the interactions of the C-terminus of p53
The C-terminal domain of p53 is an extensively studied IDP, interacting with different
partners through multiple distinct conformations. To explore the interplay between preformed …
partners through multiple distinct conformations. To explore the interplay between preformed …
Multimodal structural distribution of the p53 C-terminal domain upon binding to S100B via a generalized ensemble method: from disorder to extradisorder
Intrinsically disordered regions (IDRs) of a protein employ a flexible binding manner when
recognizing a partner molecule. Moreover, it is recognized that binding of IDRs to a partner …
recognizing a partner molecule. Moreover, it is recognized that binding of IDRs to a partner …