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RDT, MWED, and ICMAP do not explicitly return the mapping of hydrogen atoms.
From this perspective, we advocate for explicit mapping of hydrogen atoms, or at least the option to do so.
The mapping of hydrogen bond interaction fields with the HIV-1 IN active site gave details on hydrogen bond forming between ligands and enzyme.
In some instances, even with mapping of hydrogen atoms, one or more conserved moiety is not computed with the aforementioned approach [26].
Already, identification of chemically equivalent atoms and reaction centres or mapping of hydrogen atoms are of key importance in certain applications, e.g., identification of conserved moieties and simulation of isotope labelling experiments.
Similar(54)
If successful, the project would be expanded to make a three-dimensional map of hydrogen in the universe.
By using the set-up, they were able to generate a map of hydrogen concentration in the vicinity of magnesium alloy sample.
The technique provides a local map of hydrogen (H2) evolution which alone can be used as a direct measure of corrosion.
We prepare the maps of the hydrogen, helium and oxygen ions distribution above South Barents hollow by using the data of Japan satellite.
An international team of astronomers joined forces to create the most detailed map of neutral hydrogen, the universe's most abundant element, released late last month in Astronomy and Astrophysics.
We built a metabolic map of the hydrogen production process by the microalga Chlamydomonas reinhardtii, mathematically modeled this map in the S-systems formalism, then analyzed the effect of variations in the value of different model parameters on the overall response of the system.
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