Using machine-learning-driven approaches to boost hot-spot’s knowledge
This review aims to present the current knowledge on PPIs, providing a detailed understanding of the microspecifications of the residues involved in those interactions and the characteristics of those defined as HS through a thorough assessment of related field-specific methodologies.
Structure- and Interaction-Based Design of Anti-SARS-CoV-2 Aptamers
Aptamer selection against novel infections is a complicated and time-consuming approach. Synergy can be achieved by using computational methods together with experimental procedures. This study aims to develop a reliable methodology for a rational aptamer in silico et vitro design.
A Community Roadmap for Scientific Workflows Research and Development
The landscape of workflow systems for scientific applications is notoriously convoluted with hundreds of seemingly equivalent workflow systems, many isolated research claims, and a steep learning curve. To address some of these challenges and lay the groundwork for transforming workflows research and development, the WorkflowsRI and ExaWorks projects partnered to bring the international workflows community together.
DeepRank: A deep learning framework for data mining 3D protein-protein interfaces
Three-dimensional (3D) structures of protein complexes provide fundamental information to [...]
GA4GH: International policies and standards for data sharing across genomic research and healthcare
In this perspective, we present the GA4GH strategies for addressing the major challenges of the data revolution. We describe the GA4GH organization, which is fueled by the development efforts of eight Work Streams and informed by the needs of 24 Driver Projects and other key stakeholders
The Impact of the HydroxyMethylCytosine epigenetic signature on DNA structure and function
In Eukaryotic cells, DNA epigenetic modifications play an important role in gene expression and regulation, and protein recognition. In this work we investigate the physical implications of cytosine 5-hydroxymethylation on DNA, its structural and flexibility differences with methylated and unmodified cytosine using molecular dynamics, biophysical experiments and NMR spectroscopy.
