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Molecular modelling of glutathione: a comparison with crystallographic data

✍ Scribed by Margot Paulino De Blumenfeld; Noriko Hikichi; María Hansz; Oscar N. Ventura


Book ID
113256997
Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
576 KB
Volume
210
Category
Article
ISSN
0166-1280

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A comparison of a series of extended molecular dynamics (MD) simulations of bacteriophage T4 lysozyme in solvent with X-ray data is presented. Essential dynamics analyses were used to derive collective fluctuations from both the simulated trajectories and a distribution of crystallographic conformat