molecular modelling

Molecular modelling software could bring huge advantages for science students.

Scoring functions are widely used in drug discovery and other molecular modelling applications.

It has been used mainly in molecular modelling of the cannabinoid receptors.

The package facilitates research in Structural bioinformatics and molecular modelling.

For a molecular modelling experiment involving menthone, see here.

This article about Molecular modelling is a stub.

The system is said to be particularly useful for industrial and scientific applications like molecular modelling, computer animation, robotics control.

MacroModel is a computer program for molecular modelling of organic compounds and biopolymers.

Due to the strong relationship to informatics this program belongs more to the category cheminformatics than to molecular modelling.

Scigress Explorer was designed for molecular modelling.

In addition to films and computer games, the technique has found uses in areas such as molecular modelling and airport security.

Ascalaph Designer is a general purpose molecular modelling package for molecular design and simulations.

The simplest calculations can be performed by hand, but inevitably computers are required to perform molecular modelling of any reasonably sized system.

Three-dimensional molecule editors are used to build molecular models, usually as part of molecular modelling software packages.

Protein-ligand docking is a molecular modelling technique.

The common feature of molecular modelling techniques is the atomistic level description of the molecular systems.

André Dreiding introduced a molecular modelling kit (ca. 1975) which dispensed with the connectors.

Molecular modelling has shown that addition of a second well produces an additional transition between two different liquids (or fluids) with a second critical point.

The results of AM1 calculations are sometimes used as the starting points for parameterizations of forcefields in molecular modelling.

The benefit of molecular modelling is that it reduces the complexity of the system, allowing many more particles (atoms) to be considered during simulations.

It supports visualisation of three-dimensional data sets for applications such as satellite and medical imaging, molecular modelling, and image compositing.

'Molecular modelling' is a collective term that refers to theoretical methods and computational techniques to model (abstract) or mimic the behaviour of molecules.

Visual molecular dynamics (VMD) is a molecular modelling and visualization computer program.

In molecular modelling, docking is a method which predicts the preferred orientation of one molecule to another when bound together in a stable complex.

They are used for creating input geometries for molecular systems in many molecular modelling and computational chemistry programs.