Researchers at the San Diego Supercomputer Center at the University of California, San Diego, have developed software that greatly expands the types of multi-scale QM/MM (mixed quantum and molecular mechanical) simulations of complex chemical systems that scientists can use to design new drugs, better chemicals, or improved enzymes for biofuels production.
Fuente : http://www.eurekalert.org/pub_releases/2014-02/uoc...
Fuente : http://www.eurekalert.org/pub_releases/2014-02/uoc...