Identification of key residues in protein functional movements by using molecular dynamics simulations combined with a perturbation-response scanning method

The realization of protein functional movement is usually accompanied by specific conformational changes,and there exist some key residues that mediate and control the functional motions of proteins in the allosteric process.In the present work,the perturbation-response scanning method developed by our group was combined with the molecular dynamics(MD)simulation to identify the key residues controlling the functional movement of proteins.In our method,a physical quantity that is directly related to protein specific function was introduced,and then based on the MD simulation trajectories,the perturbation-response scanning method was used to identify the key residues for functional motions,in which the residues that highly correlated with the fluctuation of the function-related quantity were identified as the key residues controlling the specific functional motions of the protein.Two protein systems,i.e.,the heat shock protein 70 and glutamine binding protein,were selected as case studies to validate the effectiveness of our method.Our calculated results are in good agreement with the experimental results.The location of the key residues in the two proteins are similar,indicating the similar mechanisms behind the performance of their biological functions.

Role of a wireless surface electromyography in dystonic gait in functional movement disorders: A case report

BACKGROUND Dystonic gait(DG) is one of clinical symptoms associated with functional dystonia in the functional movement disorders(FMDs). Dystonia is often initiated or worsened by voluntary action and associated with overflow muscle activation. There is no report for DG in FMDs caused by an abnormal pattern in the ankle muscle recruitment strategy during gait.CASE SUMMARY A 52-year-old male patient presented with persistent limping gait. When we requested him to do dorsiflexion and plantar flexion of his ankle in the standing and seating positions, we didn’t see any abnormality. However, we could see the DG during the gait. There were no evidences of common peroneal neuropathy and L5 radiculopathy in the electrodiagnostic study. Magnetic resonance imaging of the lumbar spine, lower leg, and brain had no definite finding. No specific finding was seen in the neurologic examination. For further evaluation, a wireless surface electromyography(EMG) was performed. During the gait, EMG amplitude of left medial and lateral gastrocnemius(GCM) muscles was larger than right medial and lateral GCM muscles. When we analyzed EMG signals for each muscle, there were EMG bursts of double-contraction in the left medial and lateral GCM muscles, while EMG analysis of right medial and lateral GCM muscles noted regular bursts of single contraction. We could find a cause of DG in FMDs.CONCLUSION We report an importance of a wireless surface EMG, in which other examination didn’t reveal the cause of DG in FMDs.

Movement Function Assessment Based on Human Pose Estimation from Multi-View

Human pose estimation is a basic and critical task in the field of computer vision that involves determining the position(or spatial coordinates)of the joints of the human body in a given image or video.It is widely used in motion analysis,medical evaluation,and behavior monitoring.In this paper,the authors propose a method for multi-view human pose estimation.Two image sensors were placed orthogonally with respect to each other to capture the pose of the subject as they moved,and this yielded accurate and comprehensive results of three-dimensional(3D)motion reconstruction that helped capture their multi-directional poses.Following this,we propose a method based on 3D pose estimation to assess the similarity of the features of motion of patients with motor dysfunction by comparing differences between their range of motion and that of normal subjects.We converted these differences into Fugl–Meyer assessment(FMA)scores in order to quantify them.Finally,we implemented the proposed method in the Unity framework,and built a Virtual Reality platform that provides users with human–computer interaction to make the task more enjoyable for them and ensure their active participation in the assessment process.The goal is to provide a suitable means of assessing movement disorders without requiring the immediate supervision of a physician.

Concurrent validity of a markerless motion capture system for the assessment of shoulder functional movement

As a markerless motion capture system(MLS),the Microsoft Kinect sensor may be a low-cost and portable option for measuring shoulder joint angles.However,the system's concurrent validity to capture shoulder functional movement is unclear.The purpose of this study was to investigate the concurrent validity of MLS for capturing shoulder kinematics during functional movement by comparing the MLS measures to those of the marker-based motion capture system(MBS).Twenty-five healthy participants were included in this study.Using the Microsoft Kinect sensor as the MLS and Vicon as the MBS,six shoulder functional movements were measured in all three anatomical planes concurrently.The six movements included flexion to max,maximum extension,abduction to 90°,internal rotation at 90°abduction,external rotation at 0°abduction,and maximum horizontal adduction.The shoulder joint kinematics was measured with both systems.The MLS showed a good to excellent correlation(r>0.75)with MBS for abduction to 90°,maximum external rotation at 0°abduction and maximum internal rotation at 90°abduction.The results for maximum extension(r=0.727)and maximum horizontal adduction(r=0.619)showed a moderate to good correlation.For maximum flexion,a poor correlation was observed(r=0.479).The validity of the MLS to measure shoulder kinematics would be acceptable.The system demonstrates potential as a measurement tool of joint motions for a function assessment and rehabilitation purpose.