Structure-based drug design (SBDD) holds promising potential to design ligands with high-binding affinity and rationalize their interaction with targets. By utilizing geometric knowledge of the three-dimensional (3D) structures of target binding sites, SBDD enhances the efficacy and selectivity of therapeutic agents by optimizing binding interactions at the molecular level. ...

Proteins play a crucial role in various biochemical activities, making accurate protein class and function prediction critical. Accurate protein function prediction is fundamental in computational biology for biological understanding. Relying solely on one modality for protein function prediction limits the model's ability to capture the protein's complete picture, potentially leading to inaccurate predictions ...

Breast cancer is a complicated and diverse ailment that requires thorough understanding at the cellular level to provide more accurate diagnoses and customized treatments. This work explores the categorization and division of breast cancer cells using imaging technology, computational algorithms, and histopathology examination. The classification result was derived by building a hybrid model that combined RNN and EfficientNetV2S with an accuracy of 99.99% ...

With the advancement of new technologies, a huge amount of high dimensional data is being generated which is opening new opportunities and challenges to the study of cancer and diseases. In particular, distinguishing the patient-specific key components and modules which drive tumorigenesis is necessary to analyze ...

Single-cell RNA-sequencing enables the opportunity to investigate cell heterogeneity, discover new types of cells and to perform transcriptomic reconstruction at a single-cell resolution. Due to technical inadequacy, the presence of dropout events hinders the downstream and differential expression analysis ...

The recent development of a high throughput single-cell RNA sequence devises the opportunity to study entire transcriptomes in the smallest detail. It also leads to the characterization of molecules and subtypes of a cell. Cancer epigenetics induced not only from individual molecules but also from the dysfunction of the system and the coupling effect of genes ...

Solid tissues collected from patient-driven clinical settings are composed of both normal and cancer cells, which often precede complications in data analysis and epigenetic findings. The Purity estimation of samples is crucial for reliable genomic aberration identification and uniform inter-sample and inter-patient comparisons as well. ...

MicroRNAs (miRNAs) have been proved to play an indispensable role in many fundamental biological processes, and the dysregulation of miRNAs is closely correlated with human complex diseases. Many studies have focused on the prediction of potential miRNA-disease associations ...