Says scientists have used supercomputers and a mathematical technique to determine the structure of the antibiotic molecule gramicidin-A, which contains 317 atoms. Using a computer instead of crystallography techniques reduced the time to determine the structure of gramicidin-A from 14 years to three ...
structure tasks. This is because that a few atoms or functional groups and their spatial structures are ignored by the separate tokenizer for the convenience of forming substring patterns, while attention for specific atoms or functional groups is important especially for chemical reaction classification...
atoms of Ric-8A and Gαi1 are rendered in deep brown, and green, respectively, and oxygen and nitrogen atoms are, respectively, colored red and blue.cAcidic Ric-8A peptide with phosphorylated residues rpS335 and rpT440 bound to the positively charged surface formed by the 8th and 9th Ric...
Antibodies currently represent the most valuable category of biopharmaceuticals for both diagnostic and therapeutic applications. They are a class of Y-shaped proteins capable of specifically recognizing and binding to a virtually infinite number of antigens. Being able to identify the antigen-binding res...
Carbo-Dorca, R., & Gallegos, S. A. (2009b). Notes on quantitative structure-properties relationships (QSPR) part 2: The role of the number of atoms as a molecular descriptor. Journal of Computational Chemistry, 30(13), 2099-2104.
Carbo-Dorca, R., & Gallegos, S. A. (2009b). Notes on quantitative structure-properties relationships (QSPR) part 2: The role of the number of atoms as a molecular descriptor. Journal of Computational Chemistry, 30(13), 2099-2104.
Atmospheric organic aerosol (OA) are considered as a significant contributor to the light absorption of OA, but its relationship with abundance, composition and sources are not understood well. In this study, the abundance, chemical structural characteri