Our work introduces a novel methodology for reaction data examination centered on reagents - essential molecules in reactions that do not contribute atoms to products. We propose an intuitive tool for creating interactive reagent space maps using distributed vector representations, akin to word2vec in ...
Designing of a reaction microscope to study dynamics of atoms and Molecules. Master Dissertation. Department of Physics, Indian Institute of Technology Hyderabad, 2013. link - with in depth description of SIMION COLTRIMS training program. amo-csd.lbl.gov link Berkley lab. Ultrafast X-Ray Science ...
If a nucleus is formed in the nuclear reaction, it appears at a given point of the landscape – it takes specific deformation. It then starts to slide (change deformation) towards the lowest energy point (stable deformation). In some cases, however, before reaching the ground state, it may...
Schizophrenia (Sz) is a highly polygenic disorder, with common, rare, and structural variants each contributing only a small fraction of overall disease risk. Thus, there is a need to identify downstream points of convergence that can be targeted with th
Extra- and intra-virion domains of glycoproteins were partitioned into smaller-sized beads on the basis of existing cryoEM structures (if available) or the respective predicted AF2 models. Positions of α-carbon atoms were clustered together usingk-means and the size of individual beads was determ...
Teachers can use this one to quickly create a lesson plan that is both visually appealing and interesting. For concepts like atoms and the periodic table, this map will help identify elements, where elements are found, their compounds that will enhance students’ learning ability. 19. Math ...
(FigureS2). Some of these couplings even reach to carbon atoms in substituents which are bound to the bicyclo[2.2.2]octane sleketon. Additionally, chemical shifts of δC 210.7 and 197.4 as well as the multiplicities of carbons C-2 and C-6 indicate the presence of ketone functionalities in...
Figure 1. Superposition of unphosphorylated p38 (green and blue) and ERK2 (purple and red) using corresponding Cα atoms in the C-terminal domain (residues 110–320 in p38). The molecules differ greatly in domain orientation and in the conformation of the activation loop. The N-terminal dom...
the key interaction residues are shown with sticks together with solvent molecules in the close proximity of the ligand. Ligands are displayed with ball and stick representations using light red and light blue colors for carbon-atoms of1and2, respectively. H-bonds shown with yellow, π–cation ...
The attachment of sugars to proteins via side-chain oxygen atoms (O-linked glycosylation) is seen in all three domains of life. However, a lack of widely-applicable analytical tools has restricted the study of this process, particularly in bacteria. In E