Abstract
A primary role of computational science and supercomputing technology in pharmaceutical research is to expedite the discovery and development process using a balance of database applications, data generation applications, and data analysis and visualization applications. Data generation applications include familiar algorithms based on physical theory, such as molecular mechanics and quantum mechanics. The usefulness of computational chemistry to the pharmaceutical (and chemical) industry depends on its ability to provide knowledge about the structure and properties of substances and the transformations they undergo. The complexity of realistic model calculations and the time-critical nature of the results require high-performance computing to discover and test ideas for novel compounds that will be useful in therapeutic intervention.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
