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PyDPI is able to calculate interaction descriptors but only limited to chemical protein interaction feature.
Interactions between two monomer units in crystal packing could be separated and theoretically investigated to calculate interaction energy.
In this study we propose to calculate "Interaction Indexes" to estimate the level of interactions according to the chemical structure.
To calculate interaction effects, consider the following equation: y=a*Italy+b*Single+c*(Single *Italy), with Italy and Single dummies, and Single*Italy the interaction term dummy.
They place various probes on the grid points around the protein's surface and calculate interaction energies of those points with the use of underlying force field software.
In the mesh-free particle model, the major issue is how to calculate interaction between particles at different layers in an MWNT to approximate molecular-level interlayer interaction.
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We developed a simple knowledge-based method to calculate interactions between the solvent and amino acids.
Because of the low numbers of subjects with KIR3DS1 or without KIR3DL1 in our study population, we were not able to calculate interactions of Bw4 with KIR3DL1 or KIR3DS1.
The model-based approaches are designed to calculate interactions based on linear regression [ 29].
The last limitation is that the results would have had more power if it was possible to calculate interactions.
The authors developed a program in SAS and R to calculate interactions on an additive and multiplicative scale.
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