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Molecular structure does not easily identify the intricate noncovalent interactions that govern many areas of biology and chemistry, including design of new materials and drugs. We develop an approach to detect noncovale...

The following research proposes a first approximation to the Dynamic Hypermedial Device modeling based on the analysis of interactions. In addition, the DEVS (Discrete EVents dynamic Systems) formalism is employed, which...

One of the current issues at the basis of the understanding of novel materials is the degree of the role played by spatial inhomogeneities due to subtle phase separations. To clarify this picture here we compare the plai...

Protein recognition of DNA sites is a primary event for gene function. Its ultimate mechanistic understanding requires an integrated structural, dynamic, kinetic, and thermodynamic dissection that is currently limited co...

Drug interactions occur with the indiscriminate and excessive use of drugs. However, this could result in efficient therapy or adverse reactions with different degrees of severity. This work aimed to acquire drug interac...