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Protein folding problem: Is it possible to predict the secondary, tertiary and quaternary structure of a polypeptide sequence based solely on the sequence and environmental information? Inverse protein-folding problem: Is it possible to design a polypeptide sequence which will adopt a given structure under certain environmental conditions?
David R. Lide (ed), CRC Handbook of Chemistry and Physics, 84th Edition. CRC Press. Boca Raton, Florida, 2003; Section 4, Properties of the Elements and Inorganic Compounds; Density of Molten Elements and Representative Salts
C 60 molecule with isosurface of ground-state electron density as calculated with density functional theory. Computational chemistry is a branch of chemistry that uses computer simulations to assist in solving chemical problems. [1]
In chemistry, the mass concentration ρ i (or γ i) is defined as the mass of a constituent m i divided by the volume of the mixture V. [1]= For a pure chemical the mass concentration equals its density (mass divided by volume); thus the mass concentration of a component in a mixture can be called the density of a component in a mixture.
The problem of computational expense can be alleviated through simplification schemes. [7] In the density fitting scheme, the four-index integrals used to describe the interaction between electron pairs are reduced to simpler two- or three-index integrals, by treating the charge densities they contain in a simplified way. This reduces the ...
Density (volumetric mass density or specific mass) is a substance's mass per unit of volume. The symbol most often used for density is ρ (the lower case Greek letter rho ), although the Latin letter D can also be used.
A dense packing of spheres with a radius ratio of 0.64799 and a density of 0.74786 [22] Many problems in the chemical and physical sciences can be related to packing problems where more than one size of sphere is available.
Sphere packing in a cylinder is a three-dimensional packing problem with the objective of packing a given number of identical spheres inside a cylinder of specified diameter and length. For cylinders with diameters on the same order of magnitude as the spheres, such packings result in what are called columnar structures .