Sentence examples for molecular modeling applications from inspiring English sources

Acceleration of molecular modeling applications with graphics processors are presented in [13].

There are two types of molecule editors: 3D editors, supporting creation of 3D molecular structures, mainly for use in molecular modeling applications, and 2D editors generating "flat" 2D molecule representations used as input to various molecular processing services, such as searches of chemical databases or the creation of chemical illustrations.

We review the use made to date of cloud computing for molecular modelling projects and the availability of front ends for molecular modelling applications.

Atomic charges are frequently used in molecular modelling applications such as molecular dynamics, docking, conformational searches, binding site prediction, etc.

The SOMA2 environment [1 3] is a web server based system offering a framework for integrating molecular modelling applications, including molecular data exchange.

The article presents literature information on major computer software used for molecular modeling, its application in the development of MIP sorbents, as well as the advantages resulting from the implementation of computer-assisted techniques.

Atomic charges are extensively used in many molecular modeling and chemoinformatics applications.

This review highlights some successful applications of molecular modeling in virtual ligand screening and structure-based design of organic and inorganic molecules that target non-canonical nucleic acid structures such as G-quadruplex and triplex DNA.

Under this perspective, in this work we describe the application of multiscale molecular modeling techniques for the choice of PNC materials for aerospace applications.

Although accurate quantitative predictions were not made, the example illustrates the potential benefits and problems of molecular modelling for engineering applications.

Several examples of using AIL in chemoinformatics and the prospects of its application in molecular modeling are considered.