A physicochemical property, stickiness, had been introduced by Nishigaki and Sakuma [1] to characterize the behavior of a molecule in a particular environment. As a convenient derivative of stickiness, oligostickiness was devised, which is closely related to the affinity of an oligonucleotide to a relevant DNA. In this paper we report that oligostickiness-maps, which can be generated by drawing...

The bioavailability of drugs is determined by gastrointestinal physiological factors and the physicochemical property of drugs. The presence of food changes the physiological functions of gastrointestinal mucosa (e.g., gastric pH, gastric emptying, hepatic blood flow) which may lead to increase or decrease in the bioavailability of drugs. Intestinal absorption of penicillin, captopril, ciproflo...

  Objective(s): A fast and reliable evaluation of the binding energy from a single conformation of a molecular complex is an important practical task. Artificial neural networks (ANNs) are strong tools for predicting nonlinear functions which are used in this paper to predict binding energy. We proposed a structure that obtains binding energy using physicochemical molecular descripti...

Disclaimer The contents of this report reflect the views of the author(s), who are responsible for the facts and the accuracy of information presented herein. This document is disseminated under the sponsorship of Anisotropy is an inherent property of soils. The anisotropy could either be induced by applied stress or inherent from particle eccentricity and preferential deposition. Other than st...

Fourier analysis of the parametric profile of a sequence for the detection and localization of the structural motifs that are characteristic for biologically related proteins has been proposed. In order to select parameters that are most appropriate for this analysis, the informational capacity of 226 physicochemical, thermodynamic, structural and statistical amino acid parameters was analyzed....

Structure-property correlation uses the occurrence of specific structural features within chemical molecules in statistical analyses. The features are correlated with physicochemical properties or biological activities. Quantitative structure-activity relationships (QSAR) have been predominantly applied to the design of drugs (see Ariens, 1971) and to the understanding of drug disposition (Lien...