# Coupled folding-binding versus docking: A lattice model study

Source: [Coupled folding-binding versus docking: A lattice model study](<https://www.sota2.com/research/paper/68fa26502c2a3760193b8deb>)

Collection index: [llms.txt](<https://www.sota2.com/research/llms.txt>)

Data updated: 2025-10-24T11:17:54.036Z

Authors: Nitin Gupta, Anders Irb\\"ack

Published: 2003-12-30T21:11:50.000Z

## Abstract

Using a simple hydrophobic/polar protein model, we perform a Monte Carlo study of the thermodynamics and kinetics of binding to a target structure for two closely related sequences, one of which has a unique folded state while the other is unstructured. We obtain significant differences in their binding behavior. The stable sequence has rigid docking as its preferred binding mode, while the unstructured chain tends to first attach to the target and then fold. The free-energy profiles associated with these two binding modes are compared.

## Recorded benchmark results

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## Original sources and implementation

[Original paper](<https://arxiv.org/abs/q-bio/0312048>)

[PDF](<https://arxiv.org/pdf/q-bio/0312048.pdf>)