Sensors (Basel, Switzerland)
Dec 4, 2024
Recent advancements in patient rehabilitation integrate both traditional and modern techniques to enhance treatment efficacy and accessibility. Hydrotherapy, leveraging water's physical properties, is crucial for reducing joint stress, alleviating pa...
Neural networks : the official journal of the International Neural Network Society
Nov 20, 2024
Quantum-inspired neural networks (QNNs) have shown potential in capturing various non-classical phenomena in language understanding, e.g., the emgerent meaning of concept combinations, and represent a leap beyond conventional models in cognitive scie...
Medical sciences (Basel, Switzerland)
Nov 17, 2024
Quantum computing (QC) represents a paradigm shift in computational power, offering unique capabilities for addressing complex problems that are infeasible for classical computers. This review paper provides a detailed account of the current state of...
Nature
Nov 6, 2024
Biomolecular dynamics simulation is a fundamental technology for life sciences research, and its usefulness depends on its accuracy and efficiency. Classical molecular dynamics simulation is fast but lacks chemical accuracy. Quantum chemistry methods...
Journal of chemical theory and computation
Sep 25, 2024
We describe version 2 of the SPICE data set, a collection of quantum chemistry calculations for training machine learning potentials. It expands on the original data set by adding much more sampling of chemical space and more data on noncovalent inte...
Trends in pharmacological sciences
Sep 23, 2024
Clinical trials are necessary for assessing the safety and efficacy of treatments. However, trial timelines are severely delayed with minimal success due to a multitude of factors, including imperfect trial site selection, cohort recruitment challeng...
Current opinion in structural biology
Sep 21, 2024
The integration of artificial intelligence, machine learning and quantum computing into molecular dynamics simulations is catalyzing a revolution in computational biology, improving the accuracy and efficiency of simulations. This review describes th...
Advanced science (Weinheim, Baden-Wurttemberg, Germany)
Sep 19, 2024
In this study, a deep learning model based on quantum chemistry is introduced to enhance the accuracy and efficiency of predicting DNA reaction parameters. By integrating quantum chemical calculations with self-designed descriptor matrices, the model...
Journal of chemical information and modeling
Sep 11, 2024
Unraveling the reaction pathway of photoinduced reactions poses a great challenge owing to its complexity. Recently, graph theory-based machine learning combined with nonadiabatic molecular dynamics (NAMD) has been applied to obtain the global reacti...
Journal of chemical information and modeling
Aug 23, 2024
Artificial intelligence (AI) has emerged as a pivotal force in enhancing productivity across various sectors, with its impact being profoundly felt within the pharmaceutical and biotechnology domains. Despite AI's rapid adoption, its integration into...