The potential benefits afforded by molecular modeling when applied to formulation development are, in fact, numerous. Molecular modeling tools, while initially applied to enhance drug-discovery ...

A milestone report from the University of Kansas appearing this week in the Proceedings of the National Academy of Sciences proposes a new technique for modeling molecular life with computers.

According to lead author Ilya Vakser, director of the Computational Biology Program and Center for Computational Biology and professor of molecular biosciences at KU, the investigation into computer ...

A milestone report proposes a new technique for modeling molecular life with computers. The advance promises new insights into the fundamental biology of a cell, as well as faster and more precise ...

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

The last few decades have witnessed a rapid development in the field of computational chemistry which is now a firmly established and rapidly growing field of chemistry. It has developed into an ...

In this wired and increasingly virtual world, modeling and simulation play a key role in everything from testing new products to developing weapons systems and planning military operations. Although ...

Scientists at Yale University use customised mass spectrometer to establish experimental benchmarks that will inform chemical ...

A study from Rice University, published in PRX Quantum, has found that energy transfers more quickly between molecular sites ...