AIMC Topic: Kinetics

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Recent advances in constraint and machine learning-based metabolic modeling by leveraging stoichiometric balances, thermodynamic feasibility and kinetic law formalisms.

Metabolic engineering
Understanding the governing principles behind organisms' metabolism and growth underpins their effective deployment as bioproduction chassis. A central objective of metabolic modeling is predicting how metabolism and growth are affected by both exter...

FBP-Net for direct reconstruction of dynamic PET images.

Physics in medicine and biology
Dynamic positron emission tomography (PET) imaging can provide information about metabolic changes over time, used for kinetic analysis and auxiliary diagnosis. Existing deep learning-based reconstruction methods have too many trainable parameters an...

Replicating dynamic humerus motion using an industrial robot.

PloS one
Transhumeral percutaneous osseointegrated prostheses provide upper-extremity amputees with increased range of motion, more natural movement patterns, and enhanced proprioception. However, direct skeletal attachment of the endoprosthesis elevates the ...

Estimation of Three-Dimensional Lower Limb Kinetics Data during Walking Using Machine Learning from a Single IMU Attached to the Sacrum.

Sensors (Basel, Switzerland)
Kinetics data such as ground reaction forces (GRFs) are commonly used as indicators for rehabilitation and sports performance; however, they are difficult to measure with convenient wearable devices. Therefore, researchers have attempted to estimate ...

DeepFRET, a software for rapid and automated single-molecule FRET data classification using deep learning.

eLife
Single-molecule Förster Resonance energy transfer (smFRET) is an adaptable method for studying the structure and dynamics of biomolecules. The development of high throughput methodologies and the growth of commercial instrumentation have outpaced the...

Accelerated Reactivity Mechanism and Interpretable Machine Learning Model of -Sulfonylimines toward Fast Multicomponent Reactions.

Organic letters
We introduce chemical reactivity flowcharts to help chemists interpret reaction outcomes using statistically robust machine learning models trained on a small number of reactions. We developed fast sulfonylimine multicomponent reactions for understan...

Learning molecular dynamics with simple language model built upon long short-term memory neural network.

Nature communications
Recurrent neural networks have led to breakthroughs in natural language processing and speech recognition. Here we show that recurrent networks, specifically long short-term memory networks can also capture the temporal evolution of chemical/biophysi...

A deep learning approach to programmable RNA switches.

Nature communications
Engineered RNA elements are programmable tools capable of detecting small molecules, proteins, and nucleic acids. Predicting the behavior of these synthetic biology components remains a challenge, a situation that could be addressed through enhanced ...

Spring-loaded inverted pendulum modeling improves neural network estimation of ground reaction forces.

Journal of biomechanics
Inertial-measurement-unit (IMU)-based wearable gait-monitoring systems provide kinematic information but kinetic information, such as ground reaction force (GRF) are often needed to assess gait symmetry and joint loading. Recent studies have reported...