Ionic liquid solvation of proteins in native and denatured states
Ionic liquids (ILs) are utilized as enzymatic reaction solvents and as protein structure protectants or denaturants in biotechnological applications. They can develop a wide spectrum
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Transition, intermittency and phase interference effects in airfoil secondary tones and acoustic feedback loop
A large eddy simulation is performed to study secondary tones generated by a NACA0012 airfoil at angle of attack of α=3∘ with freestream Mach number
Analysis of the onset and evolution of a dynamic stall vortex on a periodic plunging aerofoil
The onset and evolution of the dynamic stall vortex (DSV) are analysed by means of large eddy simulations of an SD7003 aerofoil undergoing periodic plunging
Devising Bone Molecular Models at the Nanoscale: From Usual Mineralized Collagen Fibrils to the First Bone Fibers Including Hydroxyapatite in the Extra-Fibrillar Volume
At the molecular scale, bone is mainly constituted of type-I collagen, hydroxyapatite, and water. Different fractions of these constituents compose different composite materials that exhibit
Pesquisadores do CCES participaram de curso do MIT sobre modelagem multiescala de materiais
Como prever de forma realista a possibilidade de fratura de um osso? Como obter próteses com propriedades próximas àquelas verificadas nos ossos dos pacientes? Essas
CCES’s researchers attended MIT course on multiscale modeling of materials
How to predict bone fracture? How can we design prostheses that behave just like the patient’s bone? The CCES’s researchers Amadeus Alcântara and Caio Ramos
Crystal imperfections in ice Ih
Due to its molecular nature, the fundamental asymmetry of the hydrogen bond, and proton disorder, crystal defects in this condensed form of water reveal a
Comparative proteomic analysis of dental cementum from deciduous and permanent teeth
Background and objectives: Dental cementum (DC) is a mineralized tissue covering tooth roots that plays a critical role in dental attachment. Differences in deciduous vs.
Parallel programming education at the CCES
The gigantic increase in demand for Computing in the last 50 years has allowed the emergence of large-scale computational systems based on computer clusters. These
Wrapping Up Viruses at Multiscale Resolution: Optimizing PACKMOL and SIRAH Execution for Simulating the Zika Virus
Simulating huge biomolecular complexes of million atoms at relevant biological time scales is becoming accessible to the broad scientific community. That proves to be crucial
Parallel programming education at the CCES
The gigantic increase in demand for Computing in the last 50 years has allowed the emergence of large-scale computational systems based on computer clusters. These
BioNetComp: a Python package for biological network development and comparison
Due to the large generation of omics data on a large scale in the last few years, the extraction of information from biological data has