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Modeling of Biomolecular Systems Interactions, Dynamics, and Allostery Session VIII Abstracts
Integrative Modeling of Proteins
Ken Dill
, Justin MacCallum, Alberto Perez.
Stony Brook University, Stony Brook, NY, USA.
We are developing methods for combining physical forcefield-based MD simulations of proteins
with external information, such as from experiments, heuristics, or database inferences. The
method (MELD) is based on a statistical mechanical approach to applying spring-forces in a
forgiving and adaptive way throughout an REMD simulation. We are finding it useful for
refining protein structures based on NMR data, for finding peptide binding poses to receptor
proteins, and for using heuristics to guide protein-structure prediction.
Protein-Protein Interactions that Inhibit the Activity of the p53 Tumor Suppressor
Batu Erman
.
Sabanci University, Turkey.
Through homology modeling, in silico docking and functional studies we identified that a BTB-
Zinc Finger transcription factor, PATZ1 interacts with the tumor suppressor protein p53. PATZ1
is a ubiquitously expressed protein with known transcriptional suppressor functions. PATZ1
interacts with p53 and suppresses its transcriptional activity by competing with DNA binding by
p53. Genome wide analysis of genes that are controlled by PATZ1 by RNA Sequencing revealed
that PATZ1 can not only inhibit p53 activity but in some cases can activate the expression of p53
target genes. Thus we identified PATZ1 as a context dependent regulator of p53.
