A community effort in SARS-CoV-2 drug discovery.

The COVID-19 pandemic continues to pose a substantial threat to human lives and is likely to do so for years to come. Despite the availability of vaccines, searching for efficient small-molecule drugs that are widely available, including in low- and middle-income countries, is an ongoing challenge. In this work, we report the results of an open science community effort, the "Billion molecules against COVID-19 challenge", to identify small-molecule inhibitors against SARS-CoV-2 or relevant human receptors.

Recalibration of myoelectric control with active learning.

Introduction: Improving the robustness of myoelectric control to work over many months without the need for recalibration could reduce prosthesis abandonment. Current approaches rely on error detection to verify the certainty of a decoder's prediction using predefined threshold value. Since the decoder is fixed, the performance decline over time is inevitable.

DENVIS: Scalable and High-Throughput Virtual Screening Using Graph Neural Networks with Atomic and Surface Protein Pocket Features.

Computational methods for virtual screening can dramatically accelerate early-stage drug discovery by identifying potential hits for a specified target. Docking algorithms traditionally use physics-based simulations to address this challenge by estimating the binding orientation of a query protein-ligand pair and a corresponding binding affinity score. Over the recent years, classical and modern machine learning architectures have shown potential for outperforming traditional docking algorithms.

Discrete Action Control for Prosthetic Digits.

We aim to develop a paradigm for simultaneous and independent control of multiple degrees of freedom (DOFs) for upper-limb prostheses. To that end, we introduce action control, a novel method to operate prosthetic digits with surface electromyography (EMG) based on multi-output, multi-class classification. At each time step, the decoder classifies movement intent for each controllable DOF into one of three categories: open, close, or stall (i.

Co-creation and User Perspectives for Upper Limb Prosthetics.

People who either use an upper limb prosthesis and/or have used services provided by a prosthetic rehabilitation centre, experience limitations of currently available prosthetic devices. Collaboration between academia and a broad range of stakeholders, can lead to the development of solutions that address peoples' needs. By doing so, the rate of prosthetic device abandonment can decrease.

Myoelectric digit action decoding with multi-output, multi-class classification: an offline analysis.

The ultimate goal of machine learning-based myoelectric control is simultaneous and independent control of multiple degrees of freedom (DOFs), including wrist and digit artificial joints. For prosthetic finger control, regression-based methods are typically used to reconstruct position/velocity trajectories from surface electromyogram (EMG) signals. Unfortunately, such methods have thus far met with limited success.

Automatic Myoelectric Control Site Detection Using Candid Covariance-Free Incremental Principal Component Analysis.

The unknown composition of residual muscles surrounding the stump of an amputee makes optimal electrode placement challenging. This often causes the experimental set-up and calibration of upper-limb prostheses to be time consuming. In this work, we propose the use of existing dimensionality reduction techniques, typically used for muscle synergy analysis, to provide meaningful real-time functional information of the residual muscles during the calibration period.

Intramuscular EMG For Abstract Myoelectric Control: A Proof Of Concept Study.

Myoelectric prostheses are commonly controlled by surface EMG. Many control algorithms, including the user learning-based control paradigm abstract control, benefit from independent control signals. Measuring at the surface of the skin reduces the signal independence through cross talk.

Model-Based Control of Individual Finger Movements for Prosthetic Hand Function.

Prosthetic devices for hand difference have advanced considerably in recent years, to the point where the mechanical dexterity of a state-of-the-art prosthetic hand approaches that of the natural hand. Control options for users, however, have not kept pace, meaning that the new devices are not used to their full potential. Promising developments in control technology reported in the literature have met with limited commercial and clinical success.

Multi-Grip Classification-Based Prosthesis Control With Two EMG-IMU Sensors.

In the field of upper-limb myoelectric prosthesis control, the use of statistical and machine learning methods has been long proposed as a means of enabling intuitive grip selection and actuation. Recently, this paradigm has found its way toward commercial adoption. Machine learning-based prosthesis control typically relies on the use of a large number of electrodes.

Effect of User Practice on Prosthetic Finger Control With an Intuitive Myoelectric Decoder.

Machine learning-based myoelectric control is regarded as an intuitive paradigm, because of the mapping it creates between muscle co-activation patterns and prosthesis movements that aims to simulate the physiological pathways found in the human arm. Despite that, there has been evidence that closed-loop interaction with a classification-based interface results in user adaptation, which leads to performance improvement with experience. Recently, there has been a focus shift toward continuous prosthesis control, yet little is known about whether and how user adaptation affects myoelectric control performance in dexterous, intuitive tasks.

Continuous Versus Discrete Simultaneous Control of Prosthetic Fingers.

Modern, commercially available hand prostheses offer the potential of individual digit control. However, this feature is often not utilized due to the lack of a robust scheme for finger motion estimation from surface electromyographic (EMG) measurements. Regression methods have been proposed to achieve closed-loop finger position, velocity, or force control.

CMOS Magnetic Sensors for Wearable Magnetomyography.

Magnetomyography utilizes magnetic sensors to record small magnetic fields produced by the electrical activity of muscles, which also gives rise to the electromyogram (EMG) signal typically recorded with surface electrodes. Detection and recording of these small fields requires sensitive magnetic sensors possibly equipped with a CMOS readout system. This paper presents a highly sensitive Hall sensor fabricated in a standard $0.

Spatio-Temporal Inertial Measurements Feature Extraction Improves Hand Movement Pattern Recognition without Electromyography.

Recent studies indicate the limited clinical acceptance of myoelectric prostheses, as upper extremity amputees need improved functionality and more intuitive, effective, and coordinated control of their artificial limbs. Rather than exclusively classifying the electromyogram (EMG) signals, it has been shown that inertial measurements (IMs) can form an excellent complementary signal to the EMG signals to improve the prosthetic control robustness. We present an investigation into the possibility of replacing, rather than complementing, the EMG signals with IMs.

Improved prosthetic hand control with concurrent use of myoelectric and inertial measurements.

Background: Myoelectric pattern recognition systems can decode movement intention to drive upper-limb prostheses. Despite recent advances in academic research, the commercial adoption of such systems remains low. This limitation is mainly due to the lack of classification robustness and a simultaneous requirement for a large number of electromyogram (EMG) electrodes.

Towards low-dimensionsal proportional myoelectric control.

One way of enhancing the dexterity of powered myoelectric prostheses is via proportional and simultaneous control of multiple degrees-of-freedom (DOFs). Recently, it has been demonstrated that the reconstruction of finger movement is feasible by using features of the surface electromyogram (sEMG) signal. In such paradigms, the number of predictors and target variables is usually large, and strong correlations are present in both the input and output domains.

Generalizability of EMG decoding using local field potentials.

Motor cortical local field potentials (LFPs) have been successfully used to decode both kinematics and kinetics of arm movement. For future clinically viable prostheses, however, brain activity decoders will have to generalize well under a wide spectrum of behavioral conditions. This property has not yet been demonstrated clearly.

Development of a real time sparse non-negative matrix factorization module for cochlear implants by using xPC target.

Cochlear implants (CIs) require efficient speech processing to maximize information transmission to the brain, especially in noise. A novel CI processing strategy was proposed in our previous studies, in which sparsity-constrained non-negative matrix factorization (NMF) was applied to the envelope matrix in order to improve the CI performance in noisy environments. It showed that the algorithm needs to be adaptive, rather than fixed, in order to adjust to acoustical conditions and individual characteristics.