Molecular conformations are used in a wide range of virtual screening applications to represent the conformational flexibility of a molecule. As the underlying conformational model has a major influence on the results of these applications, a closer insight into the conformational space of molecules is very important. We developed a new interactive graphical software tool for conformation analy...

The backbone structure of a protein is largely determined by the phi and psi torsion angles. Thus, knowing these angles, even if approximately, will be very useful for protein-structure prediction. However, in a previous work, a sequence-based, real-value prediction of psi angle could only achieve a mean absolute error of 54 degrees (83 degrees, 35 degrees, 33 degrees for coil, strand, and heli...

Based on two orthogonal linear sparse arrays (LSA) which consist of the coupled-sensors (CSs), a high resolution and no ambiguity (HRNA) method is proposed to estimate the two-dimensional (2D) angles of single source. The HRNA method first constructs a new covariance matrix to achieve no ambiguity independent angles estimation by using the covariance matrix generated by each LSA, and then compu...

in this work, the first in the world of science, the focus was on the best angle of connection between carbon nanotubes and the most widely used group of antibiotics. while having the highest stability, in terms of energy, we have the best angle of to connect to the in vivo delivery of intraoperative antibiotic binding with carbon nanotubes not lost. it will never work in the world of science. ...

objectives: the purpose of this study was to compare scapular kinematics during elevation phase of abduction, flexion, and scapular plane elevation phase between fifteen persons with shoulder impingement syndrome (sis) and thirteen persons without it. methods: values of scapular kinematics include scapular superior and lateral translations, upward rotation, external rotation, and posterior tipp...