Density Functional Theory has made the study of biomaterials feasible in the past years leading to better understanding of causes and possible treatments of related pathologies. Although it has been successfully applied in many fields, it has not yet consistently found its way into the field of pathological calcifications.
In the Publication, an overview is given of the studies where this technique has been applied in order to outline the important contributions that it can bring in the field of biomineralization.
https://comptes-rendus.academie-sciences.fr/chimie/articles/10.5802/crchim.78/
What do you think about DFT?
Thank you Bazin for your interesting information on the DFT with relation to biomineralization. Although, I am not an expert in the field, enjoyed your article and it was very thought-provoking! The DFT is a superb method for computational studies, however, there are certain limitations to it! The structural analysis, crystallographic details modulation, and molecular dynamics, contributions of bio-sources, other sedimental processes chemistry, and physics are not addressed alone by the method. A combination of techniques, a merger, and monitoring techniques/software development and/or coupling will lead to more accurate, simulated, and predictive results to match with the practical, ground-reality, and theoretical aspects.
- Badges
- Science topic
- Similar topics
- Papers