Sentence examples for The fmo from inspiring English sources

The MP2 method has been implemented in the FMO method (FMO-MP2).

The FMO method has previously been thoroughly described [30, 55 57].

The FMO method is an attractive method for dealing with large biomolecular systems quantum mechanically.

The FMO calculations can provide PIEs, also known as inter-fragment interaction energies (IFIE), between fragments.

The FMO methods allows for accurate treatment of charge transfer and polarisation effects.

The FMO method outperformed 3 other methods used to estimate the free energy of binding by MM-based methods.

The FMO performances are framed by the study of their properties, and that of their influences on diagnosis results.

The FMO method clearly outperformed three of the scoring functions and was similar to the London dG and the Alpha HB score.

The FMO input files for GAMESS were prepared using Facio (version 14.2.4) [53, 54] following preprocessing of the structure in MOE.

The FMO analysis also plays an important role in determining electronic properties such as ionization potential (I. P). and electron affinity (E. A).

Then the FMO-MP2 method begins with MP2 calculations of monomers, followed by MP2 calculations of dimers.