Sentence examples for molecular structural constraints from inspiring English sources
The augmented-penalty/outer-approximation algorithm is used to solve the MINLP to obtain compound(s) with an optimum value of an appropriate performance index such that molecular structural constraints, physical property constraints and process design limitations are met.
It is possible to suggest the following straightforward approach to solving the CASE problem: 1) generate all isomers from a given molecular formula; 2) impose different structural constraints one by one until the initial number of isomers reduces down to one.
Thus, if there are structural constraints on molecular organization, the model-convolution method better utilizes information gathered via fluorescence microscopy, and naturally integrates experiment and theory.
Cysteine mutagenesis studies have therefore been useful in providing the first insight into P2X receptor structural constraints and molecular distances between residues.
Folding simulations are performed without the help of any constraints on molecular structural change.
In addition to the measured NOEs, the dihedral angle constraints were for the first time being used as experimentally-determined structural constraints for performing molecular dynamics simulations to refine the NMR-determined AEA conformations.
All structural constraints presented in the molecular connectivity diagram are used during the structure generation.
We can conclude that the general CASE strategy utilizes processes to eliminate "superfluous" isomers from the full isomer set by imposing different structural constraints produced from the molecular spectra and a priori information (sample origin, chemical rules, etc).
We find amino acid substitutions at sites that are not involved in structural constraints and are located on the molecular surface where they are available for protein-protein interactions were targets of positive selection.
For that purpose we have developed a method of molecular graph generation in conjunction with MFTA models based on the consideration of fragmental supergraphs and structural constraints [2].
