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.

Download full-text PDF

Source
http://dx.doi.org/10.1021/bi8013455DOI Listing

Publication Analysis

Top Keywords

bovine alpha-lactalbumin
8
disulfide bond
4
bond shuffling
4
shuffling bovine
4
alpha-lactalbumin simulation
4
simulation confirms
4
confirms experiment
4
experiment simple
4
simple straightforward
4
straightforward classical
4

Similar Publications

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!