Attracting cavities for docking. Replacing the rough energy landscape of the protein by a smooth attracting landscape

Attracting cavities for docking. Replacing the rough energy landscape of the protein by a smooth attracting landscape

Molecular docking is a computational approach for predicting the most probable position of ligands in the binding sites of macromolecules and constitutes the cornerstone of structure-based computer-aided drug design. Here, we present a new algorithm called Attracting Cavities that allows molecular docking to be performed by simple energy minimizations only. The approach consists in transiently ...

Landscape design for attracting wildlife in southwestern urban environments

Urban environments present unique challenges for landscape designers wishing to incorporate wildlife attractants into their designs. Cities such as Tucson, Arizona that are surrounded by relatively large expanses of native vegetation provide many opportunities for effectively enticing native wildlife into urban spaces. Patches of landscape can be designed that mimic vegetation composition found...

study of cohesive devices in the textbook of english for the students of apsychology by rastegarpour

this study investigates the cohesive devices used in the textbook of english for the students of psychology. the research questions and hypotheses in the present study are based on what frequency and distribution of grammatical and lexical cohesive devices are. then, to answer the questions all grammatical and lexical cohesive devices in reading comprehension passages from 6 units of 21units th...

Internet Appendix for Attracting Flows by Attracting Big Clients

Exploring the electrostatic energy landscape for tetraloop-receptor docking.

It has long been appreciated that Mg(2+) is essential for the stabilization of RNA tertiary structure. However, the problem of quantitative prediction for the ion effect in tertiary structure folding remains. By using the virtual bond RNA folding model (Vfold) to generate RNA conformations and the newly improved tightly bound ion model (TBI) to treat ion-RNA interactions, we investigate Mg(2+)-...