on a completely water-free hydrophobic phase at the start, you can try to follow the advice below: * Set the ``-radius`` option in :ref:`gmx solvate` to change the water exclusion radius, * copy ``vdwradii.dat`` from your ``$GMXLIB`` location to the working directory, and edit ...
and interacts with the γ-phosphate of the nucleotide in the initiation site. The possible change of D88 to Asn or to His observed in related AEP domains retains the capacity of divalent metal ion binding and further supports the functional nature of this position. We propose that during the...
Structural figures in this paper were created using PyMOL, v1.8.4.0 [32]. 2.1. The Catalytic Tyrosine Seems to Move To model chemistry happening, based on multiple crystal structures (Table 1), it is useful if the catalytic metal ion has the same name in different crystal structures. As...