Novel machine learning and molecular modelling filtering procedures for drug repurposing have been carried out for the recognition of the novel fungicide targets of Cyp51 and Erg2. Classification and regression approaches on molecular descriptors hav...
Digitization of medicine requires systematic handling of the increasing amount of health data to improve medical diagnosis. In this context, the integration of the versatile diagnostic information, e.g., from anamnesis, imaging, histopathology, and c...
Protein secondary structure prediction remains a vital topic with broad applications. Due to lack of a widely accepted standard in secondary structure predictor evaluation, a fair comparison of predictors is challenging. A detailed examination of fac...
OBJECTIVES: Contemporary clinical assessment of vocal fold adduction and abduction is qualitative and subjective. Herein is described a novel computer vision tool for automated quantitative tracking of vocal fold motion from videolaryngoscopy. The po...
Environmental decision support systems (EDSSs), or DSS applied in the environmental field, have been developed for over 40 years now. However, most of these tools fail to find use or fall out of use extremely quickly. In the aim of aiding in the conc...
Many proteins exist in natures as oligomers with various quaternary structural attributes rather than as single chains. Predicting these attributes is an essential task in computational biology for the advancement of proteomics. However, the existing...
Antibodies are capable of potently and specifically binding individual antigens and, in some cases, disrupting their functions. The key challenge in generating antibody-based inhibitors is the lack of fundamental information relating sequences of ant...
Journal of chemical information and modeling
Apr 23, 2020
In ligand-based virtual screening, high-throughput screening (HTS) data sets can be exploited to train classification models. Such models can be used to prioritize yet untested molecules, from the most likely active (against a protein target of inter...
PURPOSE: Ischemic lesion volume (ILV) is an important radiological predictor of functional outcome in patients with anterior circulation stroke. Our aim was to assess the agreement between automated ILV measurements on NCCT using the Brainomix softwa...
The biology of bacterial cells is, in general, based on information encoded on circular chromosomes. Regulation of chromosome replication is an essential process that mostly takes place at the origin of replication (oriC), a locus unique per chromoso...
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