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Table 3 Five types of resulting models

From: Statistical modeling to quantify the uncertainty of FoldX-predicted protein folding and binding stability

Model

Source of input structure to calculate \(\mathrm{\Delta \Delta }G\)

Predictor variables used in model search

Model 1

Single experimental structure

FoldX energy terms

Model 2

Single experimental structure

FoldX energy terms and biochemical properties

Model 3

MD snapshots

FoldX energy terms

Model 4

MD snapshots

FoldX energy terms and biochemical properties

Model 5 (full model)

MD snapshots

FoldX energy terms and their associated SD, and biochemical properties

  1. We constructed and tested models with various levels of complexity. Models 1 and 2 were based on datasets with \(\mathrm{\Delta \Delta }G\) calculated from a single experimental structure while Models 3–5 were based on MD snapshot averages. We also varied the types of predictor variables.
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BMC Bioinformatics

ISSN: 1471-2105

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