The aim of this work is to provide further insight into physiological and pathological alterations of the cardiac torsion by means of computational analyses, combining a structural model of the two ventricles with simple lumped parameter models of both the systemic and the pulmonary circulations.
In this study, we proposed a new approach to predict residue depth from primary sequences only, by combining a number of useful sequence and structural features including the PSI-BLAST profiles, predicted secondary structure, solvent accessibility information, natively disordered region, as well as some global sequence features.
By combining structural, thermal and spectroscopic data, a structural model for the evolution of crystalline lamellae is proposed.
According to these considerations, a series of multitarget molecules have been designed by combining key structural features derived from an EGFR-TKI, PD168393, and the isothiocyanate sulforaphane.
By combining both, structural and sequential information of a large number of proteins a thorough analysis and classification of proteins of interest is made possible.
By combining different structural features spanning several length scales, the composites exhibit a unique combination of high strength (522 MPa) and toughness (9.5 MPa m0.5); in particular, the fracture toughness is more than double that of the composite without the hierarchical architecture.
In order to clarify this discrepancy, we here present a proper classification of the p115 ARM-motifs by combining both structural and sequence information.
The workflow described in this study aims to make this decision-making process easier by combining the structural and biological information of compounds used in an HTS.
A series of 5-methanesulphonamido benzimidazole derivatives were designed by combining the structural features of clinically useful anti-inflammatory drugs (nimesulide and rofecoxib) and antiulcer drugs (lansoprazole, omeprazole, etc).
By combining the structural features of indole and barbituric acid, new hybrid molecules were designed and synthesized.
