Journal
BIOCHEMISTRY
Volume 47, Issue 46, Pages 12104-12107Publisher
AMER CHEMICAL SOC
DOI: 10.1021/bi8013455
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Funding
- National Center of Competence in Research (NCCR) Structural Biology
- Swiss National Science Foundation (SNSF)
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A simple and straightforward classical molecular dynamics simulation technique is proposed to predict possible disulfide bridge shuffling. Application to bovine alpha-lactalbumin shows that shuffling can be observed on short simulation time scales and yields results in agreement with experiment.
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