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Article

Simulation of protein association: Kinetic pathways towards crystal contacts.

Physical review. E, Statistical, nonlinear, and soft matter physics - 1 Mar 2015

Taudt Aaron, Arnold Axel, Pleiss Jürgen

Abstract excerpt

We conducted molecular dynamics simulations combined with distance-based umbrella sampling and forward flux sampling to investigate the early stages of protein crystallization. Formation of contacts with long-range interactions and/or an exposed position on the protein surface was kinetically preferred over more stable hydrophobic contacts with a shorter attractive range, while the thermodynamic stability of the...

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Identifiers

PMID: 25871250
DOI: 10.1103/PhysRevE.91.033311

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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