Sentence examples for computational chemistry tools from inspiring English sources

We use synthetic organic chemistry and computational chemistry tools to design chemical probes and drug candidates that reveal cellular and molecular mechanisms.

Computational chemistry tools are used in this context to predict properties, cluster hits, design focused libraries and search for close analogues to explore the potential of hit series.

It also discusses the use of computational chemistry tools in understanding the inhibition mechanism of gum extracts components which is often difficult to determine using experimental means.

The striking growth of web technologies provides an alternative strategy to offer the possibility of accessing and running computational chemistry tools directly on the web with a simplified user interface.

The long-term goal is the development of a common language and data infrastructurefor the chemistry community that will enable machines to easily process datagenerated by computational chemistry tools.

Computational chemistry tools are important to biologists because they identify chemicals most important for in vitro and in vivo studies.

A wide variety of techniques from the computational chemistry tool chest can be applied in a fragment-based project.

This is a prime example where extensibility was very important for performing research using a graphical computational chemistry tool.

Their public availability will contribute to the widespread use of the computational chemistry [22] tools on the Web [23].

Introduction to computational chemistry methods and tools that can be used to interpret and guide experimental research.

The main aim of the database is to provide computational and medicinal chemistry tools for research community who are interested in medicinal chemistry, biology and biochemistry of epigenetic protein families.