Abstract
Non-molecular systems biology is aimed at the prediction of the functional features of bio-systems on the basis of known cell proteomes and interactomes. Understanding the interactions between all the involved molecules is therefore the key for gaining a deep understanding of such processes. Albeit many thousands of interactions are known, accurate molecular insights are available for only a small fraction of them. The difficulties found in the resolution of atomic level structures for interacting pairs, make the predictive power of molecular computational biology methods essential for the advancement of the field. Indeed, bridging the gap formed due to the lack of structural details can therefore transform systems biology into models that more accurately reflect biological reality.
Highlights
Molecular biology, in the genome era, does not refer to studies involving just single macromolecules, it involves the study of complete cellular pathways, and why not, even entire organisms
Small molecules control an enormous amount of cellular functions by binding to their target macromolecules, firing complex cellular pathways characterized by reactions, environmental changes, intermolecular interactions, and allosteric modifications
World-wide projects such as the structural genomics, that are pushing forward the entire field of structural biology, will be able in a near future to produce such important results that it will be difficult to find a single protein for which no structural information is available or for which structural information is not readily accessible by straightforward [4]
Summary
In the genome era, does not refer to studies involving just single macromolecules, it involves the study of complete cellular pathways, and why not, even entire organisms. Small molecules control an enormous amount of cellular functions by binding to their target macromolecules, firing complex cellular pathways characterized by reactions, environmental changes, intermolecular interactions, and allosteric modifications. A deep understanding of the molecular basis of ligandtarget interactions requires the integration of biological complexes into cellular pathways, that is “systems biology”.
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