Journal of chemical information and modeling
Jun 6, 2025
Accurately modeling chemical reactions in molecular dynamics simulations requires detailed pre- and postreaction templates, often created through labor-intensive manual workflows. This work introduces a Python-based algorithm that automates the gener...
Journal of chemical information and modeling
May 28, 2025
Exploring the interaction configurations between substrates and atomic or molecular systems is crucial for various scientific and technological applications, such as characterizing catalytic reactions, solvation structures, and molecular interactions...
Autonomous Vehicle (AV) technologies, including Advanced Driver Assistance Systems (ADAS) and Automated Driving Systems (ADS), have significant potential to reduce crashes caused by driver errors. However, as AVs become more prevalent on roadways, th...
Journal of nuclear medicine : official publication, Society of Nuclear Medicine
May 1, 2025
This study investigated the added value of using maximum-intensity projection (MIP) images for fully automatic segmentation of lesions using deep learning (DL) in [F]FDG and [Ga]Ga-prostate-specific membrane antigen (PSMA) PET/CT scans. We used 489 ...
The international journal of cardiovascular imaging
Apr 29, 2025
Real time 2D phase contrast (RTPC) MRI is useful for flow quantification in atrial fibrillation (AF) patients, but data analysis requires time-consuming anatomical contouring for many cardiac time frames. Our goal was to develop a convolutional neura...
BACKGROUND: Chronic rhinosinusitis (CRS) is diagnosed with symptoms and objective endoscopy or computed tomography (CT). The Lund-Mackay score (LMS) is often used to determine the radiologic severity of CRS and make clinical decisions. This proof-of-...
The international journal of cardiovascular imaging
Apr 26, 2025
Non-contrast enhanced magnetic resonance coronary angiography (MRCA) is a promising coronary heart disease screening modality. However, its clinical application is hindered by inherent limitations, including low spatial resolution and insufficient co...
Head-and-neck simultaneous integrated boost (SIB) treatment planning using intensity modulated radiation therapy is particularly challenging due to the proximity to organs-at-risk. Depending on the specific clinical conditions, different parotid-spar...
Although synthetic biology can produce valuable chemicals in a renewable manner, its progress is still hindered by a lack of predictive capabilities. Media optimization is a critical, and often overlooked, process which is essential to obtain the tit...
The international journal of cardiovascular imaging
Apr 10, 2025
BACKGROUND: In aortic valve stenosis (AS), measurement of stroke volume index (SVi) by the 2D Doppler- technique is required to calculate the aortic valve area (AVA) and determine flow status but is prone to systematic errors.
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