Sentence examples for in docking design from inspiring English sources

Thus, a simple and fast method based on the Rosetta score function and limited conformational sampling produces pKa values that will be useful when rapid estimation is essential, such as in docking, design, and folding.

Dock design in general and the problem of assessing the dock bay requirements in particular, has a major impact on these costs.

Numerical simulations have been carried out on the flooding system of a dry dock in design stage and to be located at the south coasts of Iran.

Lumawake, an innovative iPhone dock designed to work with both 30-pin and lightning dock connectors, today kicks off its own pre-orders in a self-run crowdfunding attempt to bring its product to market.

In addition to basic research in predicting protein structure, docking and design, Rosetta@home is also used in immediate disease-related research.

Current methods in structure prediction (folding, docking and design) will illustrate fundamental concepts in protein structure, biophysics, and optimization.

The mechanisms were used in an automatic docking device, designed for joining two water pipes in a water sample collection system aboard an unmanned surface vehicle.

There have been several works describing the use of molecular docking in drug design, not only contributing to a better understanding of the functions of already described active compounds, but also adding to the development of new ones [15].

Modification at ring B of N-{4-[ 3-Phenyl-ureido -methyl]-phenyl}-methane-sulfonamide template to iN-{4-[ 3-Phenyl-ureido -methyl]-phenyl}-methane-sulfonamideB by molecular dockiN-{4-[ 3-Phenyl-ureido -methyl]-phenyl}-methane-sulfonamidevel high poteN-{4-[ 3-Phenyl-ureido -methyl]-phenyl}-methane-sulfonamide

This, in turn, will permit to perform in silico docking experiments to design molecules that may disrupt the T: A interactions.

This chapter describes methods to develop opioid G protein-coupled receptors (GPCR) structural models for use in molecular docking and drug design.