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Alamethicin channels – modelling via restrained molecular dynamics simulations

✍ Scribed by J Breed; P.C Biggin; I.D Kerr; O.S Smart; M.S.P Sansom

Book ID
117048618
Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
647 KB
Volume
1325
Category
Article
ISSN
0005-2736

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Application of the weak-coupling scheme to restrain the configurations of a molecular system to a set of NOE distance restraints is investigated using two test systems: (i) a 15-atom chain molecule with one distance restraint; and (ii) a protein molecule with hundreds of NOE distance restraints. Ato