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Energy minimization and molecular dynamics studies of Asn-102 elastase

โœ Scribed by Bogdan Lesyng; Edgar F. Meyer

Book ID
105274884
Publisher
Springer Netherlands
Year
1987
Tongue
English
Weight
419 KB
Volume
1
Category
Article
ISSN
0920-654X

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โœ Lucia Banci; Ivano Bertini; Giovanni Gori Savellini; Andrea Romagnoli; Paola Tur ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 124 KB ๐Ÿ‘ 1 views

The pseudocontact shifts of NMR signals, which arise from the magnetic susceptibility anisotropy of paramagnetic molecules, have been used as structural constraints under the form of a pseudopotential in the SANDER module of the AMBER 4.1 molecular dynamics software package. With this procedure, res