Restrainers overview

As it was mentioned in Section 9.4.1, 3D structures generated by DG have to be optimized. For this purpose, MD is a well-suited tool. In addition, MD structure calculations can also be performed if no coarse structural model exists. In both cases, pairwise atom distances obtained from NMR measurements are directly used in the MD computations in order to restrain the degrees of motional freedom of defined atoms (rMD Section 9.4.2.4). To make sure that a calculated molecular conformation is rehable, the time-averaged 3D structure must be stable in a free MD run (fMD Sechon 9.4.2.5J where the distance restraints are removed and the molecule is surrounded by expMcit solvent which was also used in the NMR measurement Before both procedures are described in detail the general preparation of an MD run (Section 9.4.2.1), simulations in vacuo (Section 9.4.2.2) and the handling of distance restraints in a MD calculation (Section 9.4.2.3) are treated. Finally, a short overview of the SA technique as a special M D method is given in Sechon 9.4.2.6. 

The aim of this review is to give an overview of the main classes of synthetic glycoside analogues restrained in a defined conformation that have been elaborated to produce potent and selective inhibitors of a... 

Recent in-vessel inspections have found damage to inlet-mixer wedges and to the mating interface surface on the restrainer bracket pad. Set screw gaps have also been reported in some jet punqjs. The purpose of this SIL is to provide details of the recent findings, an overview of the situation, and recommendations for mitigation. This SIL is applicable in particular to B WR/5-251 plants and to a lesser extent, all BWR/3-6 plants. [6.271 ... 

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