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1. 1. Automated Orienting of Water Molecules in Neutron Crystal Structures

   University essay from Lunds universitet/Kemiska institutionen

   Author : Axl Eriksson; [2019]
   Keywords : Teoretisk kemi; Theoretical chemistry; Crystallography; Neutron crystallography; X-ray crystallography; Phenix.refine; Method development; Model improvement; Chemistry;

   Abstract : A protein’s function is directly related to its structure, which is in a water medium where it is affected by hydrogen bonds and the hydrophobic effect. These interactions are in turn dependent on the water molecules’ orientations around the protein. Therefore, it is vital to have correct orientations for the water molecules. READ MORE