J Comput Aided Mol Des
March 2015
A novel type of molecular fields, Continuous Indicator Fields (CIFs), is suggested to provide 3D structural description of molecules. The values of CIFs are calculated as the degree to which a point with given 3D coordinates belongs to an atom of a certain type. They can be used similarly to standard physicochemical fields for building 3D structure-activity models.
View Article and Find Full Text PDFWe develop a continuous self-consistent theory of solute-water interactions that allows determination of the hydrophobic layer around a solute molecule of any geometry, with an explicit account of solvent structure described by its correlation function. We compute the mean solvent density profile n(r) surrounding the solute molecule as well as its solvation free energy deltaG. We compare the two-length-scale field theory to the numerical data of Monte Carlo simulations found in the literature for spherical molecules and discuss the possibility of self-consistent adjustment of the free parameters of the theory.
View Article and Find Full Text PDFSome results of investigation of biological systems using laser projection microscope is given. The scheme permitted to work both in reflected and transmitting light. The image of a living cell on a large screen was observed.
View Article and Find Full Text PDF