Here we determine the 3D atomic positions of M/HEA nanoparticles using atomic electron tomography36 and quantitatively characterize the local lattice distortion, strain tensor, twin boundaries, dislocation cores and chemical short-range order (CSRO). We find that the high-entropy alloys have larger ...
The whale optimization algorithm has received much attention since its introduction due to its outstanding performance. However, like other algorithms, the whale optimization algorithm still suffers from some classical problems. To address the issues of
SidechainNet: An All-Atom Protein Structure Dataset for Machine Learning. J.E. King, D. Koes. Proteins: Structure, Function, and Bioinformatics (Vol. 89, Issue 11, pp. 1489–1496). Wiley. (2021). ProteinNet: a standardized data set for machine learning of protein structure.. M. AlQuraish...
E trp reflects the local conformational biases of secondary structure, which is local-sequence dependent. E sol stands for the solvation energy of protein, which reflects the hydrophobic effect of protein folding. We used a simple model based on Cα atom to derive the solvation energy by ...
X-converting enzyme (XCE) involved in nervous control of respiration, is a member of the M13 family of zinc peptidases, for which no natural substrate has been identified yet. In contrast, it’s well characterized homologue endothelin-converting enzyme-1
Figure 9. Schematic of simple atomic bonding model of IZO semiconductor. (a) Zn-O amorphous random network, (b) Zn-O boning, and (c) In-O bonding. (d) shows the weak bond breaking in Zn-O bonding structure, and (e) represents the replacement mechanism of Zn atom by In doping. ...
Versions Notes Abstract NAPRT, the rate-limiting enzyme of the Preiss–Handler NAD biosynthetic pathway, has emerged as a key biomarker for the clinical success of NAMPT inhibitors in cancer treatment. Previous studies found that high protein levels of NAPRT conferred resistance to NAMPT inhibition in...
Download Notes Study Important Questions for Class 9 Science Chapter 4 – Structure of Atoms Very Short Answer Questions (1 Mark) 1. What are canal rays? Ans:Positively charged rays discovered by E. Goldstein are called canal rays. 2. If an atom contains one electron and one proton, will ...
nutshell structure checker getting started structure checker concepts checkers fixers structure checking of molecules working with structure checker checker list abbreviated group absent chiral flag absolute stereo configuration alias aromaticity error atom map atom query property atom value atropisomer attached ...
Modeling of the atomic structure and spin properties of a NV~(-)-center formed close to a (111) surface of nano-diamond has been carried out by using quantum-chemical PM3 and DFT methods. We consider the case where the nitrogen atom of the NV~(-)-center is located in the near-...