For better integration of computational approaches into biological problems and to improve interpretation and use of omics data that nowadays are accumulated in any biological or medical lab -The Computational Approach is the need of the hour.
Now my point is to understand how much i is important and useful in near future particularly data analysis to modelling. and integration of rationalized treatment schemes into the clinical trials.
There are two fundamental aspects that need to be highlighted. One concerns the modeling of even complex biological structures and their analysis through molecular dynamics (modeling alone is not very reliable). On the models thus obtained, different analyses can be made (for example residue-residue interactomics that can reveal many dynamic phenomena of the macromolecules). At this time we try to treat cancer but little is known about its basic cell biology. It is important to have more knowledge of molecular dynamics and the relationships with metabolic function, because metabolism is a complex non-linear system in which the dynamic aspects and weak interactions within the molecular population are important, but not yet understood. It does not escape that most of the important proteins are multifunctional ones and they are almost all IDPs with a variety of conformational ensembles of which it is important to understand the dynamic-function relationships. Are these proteins involved in addressing a cell to a certain phenotype?
Another important aspect are all aspects connected with the non-linear evolution of the cell types involved in the formation of tumor metastases, their genomic characterization and the understanding of their phenotypic evolution which has its basis just in the understanding of cellular metabolism with the logic of previous point. The two aspects are connected and the cancer cannot be cured (and healed) without this basic knowledge. The question to ask is always the same, who guides the evolution of the first cancer cells to the metastasis formation at a metabolic level. These are cells that contravene a cooperation pact that has been in place for millions of years, that is, repairing DNA errors, remaining stable in the tissue in which they have differentiated and consulting adjacent cells before each decision.
I think these are the most important aspects for the future, but the real difficulty lies in the fact that we talk about broadly multidisciplinary topics that involve extensive and diverse knowledge for the individual researcher and the presence of a qualified "bridge scientist" who should coordinate these multidisciplinary groups. Hence the preparation of the individual researcher is not enough, even favorable organizational conditions are needed, not everywhere present.
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