Bulletin of the American Physical Society
2023 APS March Meeting
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session T08: Physics of Proteins III: Evolution and Function of Molecular Interactions
11:30 AM–2:30 PM,
Thursday, March 9, 2023
Room: Room 131
Sponsoring
Unit:
DBIO
Chair: Xiaoqin Zou, University of Missouri
Abstract: T08.00004 : Evaluating Machine Learning Techniques for Decoy Detection of Protein-Protein Interactions*
12:30 PM–12:42 PM
Presenter:
Naomi Brandt
(Yale University)
Authors:
Naomi Brandt
(Yale University)
Alex T Grigas
(Yale University)
Lynne Regan
(The University of Edinburgh)
Corey S O'Hern
(Yale University)
In this work, we constructed a dataset of high-resolution x-ray crystal structures of protein heterodimers and generated PPI models for each experimental target using current computational protein docking methods: ZDOCK, HDOCK, and Rosetta. Each method applies its own scoring function to rank its models. To assess their accuracy, we scored all models against the three separate scoring functions, as well as published neural networks train in classifying PPI models.
*Funding from NIH T32 training grant award number 1T32GM145452-01 is acknowledged.
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