The journal of physical chemistry letters
Feb 19, 2026
This Letter introduces excited-state molecular dynamics in PYSEQM, a GPU-accelerated semiempirical quantum chemistry engine implemented in PyTorch. The new module enables Born-Oppenheimer molecular dynamics (BOMD) using configuration-interaction sing... read more
Protein engineering is limited by the inefficient search through a high-dimensional sequence space to find combinations of synergistic mutations. Traditional approaches use stepwise mutation stacking, whereas machine learning methods require extensiv... read more
Artificial intelligence (AI) models contain much of human knowledge. Understanding the representation of this knowledge will lead to improvements in model capabilities and safeguards. Building on advances in feature learning, we developed an approach... read more
» Three-dimensional printing improves shoulder surgery by creating precise anatomical models for better planning and visualization.» Patient-specific guides and implants enhance accuracy, shorten surgery time, and lead to better functional outcomes i... read more
Interdisciplinary cardiovascular and thoracic surgery
Feb 19, 2026
OBJECTIVES: Extracorporeal membrane oxygenation (ECMO) is a life-saving therapy for severe cardiopulmonary failure, but structured training remains constrained by costs, logistics, and the absence of validated high-fidelity simulators. This study aim... read more
MOTIVATION: G-quadruplex-binding proteins (G4BPs) play key roles in RNA metabolism and stress response, yet their identification remains experimentally challenging. Here, we present a deep learning framework for the prediction of RNA G4BPs (RG4BPs), ... read more
BACKGROUND: Despite the growing use of digital platforms for sexual health education, many tools fail to meet the needs of LGBTQ+ (lesbian, gay, bisexual, transgender, and queer) teenagers, who often lack access to inclusive, affirming resources. Art... read more
BACKGROUND: Good motor performance skills (MPS) are relevant in all stages of life. Higher MPS are associated with enhanced cognitive abilities and physical and mental health. The assessment of MPS is important to identify deficits in MPS at an early... read more
BACKGROUND: Diabetes is a chronic disease with a high global prevalence, increasing from 200 million people in 1990 to 830 million in 2022, with a higher burden in low- and middle-income regions and high mortality in Mexico and Veracruz. These inequa... read more
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