β-Branched Amino Acids Stabilize Specific Conformations of Cyclic Hexapeptides.
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DOI: 10.1016/j.bpj.2018.12.015
Abstract: Cyclic peptides (CPs) are a promising class of molecules for drug development, particularly as inhibitors of protein-protein interactions. Predicting low-energy structures and global structural ensembles of individual CPs is critical for the design of bioactive… read more here.
Keywords: cyclic hexapeptides; amino acids; well structured; global structural ... See more keywords
Best influential spreaders identification using network global structural properties
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DOI: 10.1038/s41598-021-81614-9
Abstract: Influential spreaders are the crucial nodes in a complex network that can act as a controller or a maximizer of a spreading process. For example, we can control the virus propagation in an epidemiological network… read more here.
Keywords: network; structural properties; best influential; global structural ... See more keywords
Global structural stability and the role of cooperation in mutualistic systems
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DOI: 10.1371/journal.pone.0267404
Abstract: Dynamical systems on graphs allow to describe multiple phenomena from different areas of Science. In particular, many complex systems in Ecology are studied by this approach. In this paper we analize the mathematical framework for… read more here.
Keywords: global structural; role; cooperation; biodiversity ... See more keywords
Exosite Binding in Thrombin: A Global Structural/Dynamic Overview of Complexes with Aptamers and Other Ligands
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DOI: 10.3390/ijms221910803
Abstract: Thrombin is the key enzyme of the entire hemostatic process since it is able to exert both procoagulant and anticoagulant functions; therefore, it represents an attractive target for the developments of biomolecules with therapeutic potential.… read more here.
Keywords: structural dynamic; global structural; exosite binding; thrombin global ... See more keywords