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For the solvation, explicit TIP3P water 13 was used using a cutoff distance of 10 Å.
The ligand poses at these sites were selected on the basis of shape matching, using a cutoff distance of 3 Å between the ligand and the binding site residues.
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We used a cutoff distance of 7.3 Å between Cα atoms to define the Kirchhoff matrix of inter-residue contacts.
After creating the viewscape, we used a cutoff distance of 3 km on either side of the road, within which all visible areas were calculated.
Sequences were then assigned into operational taxonomic units (OTUs) using a cutoff of 0.03 for the distance matrix and into phylotypes by clustering all sequences belonging to the same genus.
For this reason, bond valence - bond length parameters determined using a larger cutoff distance are used as described in section 7.3.
Contact scores and energy scores were calculated using an energy cutoff distance of 5.0 A. Our docking technique was validated by docking Ins(1,3) P2 of known FYVE domains into their corresponding solved structures.
The electrostatics and van der Waals energy terms were truncated using the switching function with a cutoff distance between 6 and 10 Å, and the dielectric constant was equal to 2 times the distance between the interacting atoms.
Traditionally, a "contact" would use a fixed cutoff distance, and if two atoms were within this cutoff, they would be considered in contact.
A cutoff distance of KS 5.0 was used and the KS-range was divided into bins of size 0.1.
For identification of a H-bond, a cutoff distance of 2.4 Å between hydrogen and oxygen atoms was used.
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