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Predicting Thymine Dimerization Yields from Molecular Dynamics Simulations

✍ Scribed by Law, Yu Kay; Azadi, Javad; Crespo-Hernández, Carlos E.; Olmon, Eric; Kohler, Bern

Book ID
119921527
Publisher
Biophysical Society
Year
2008
Tongue
English
Weight
819 KB
Volume
94
Category
Article
ISSN
0006-3495

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## Abstract With today's available computer power, free energy calculations from equilibrium molecular dynamics simulations “via counting” become feasible for an increasing number of reactions. An example is the dimerization reaction of transmembrane alpha‐helices. If an extended simulation of the