Computer-aided drug design | Chemical & Engineering News
Volume 94 Issue 13 | p. 4 | Letters
Issue Date: March 28, 2016

Computer-aided drug design

Department: Letters

The article about a computational comeback in drug discovery was a good read (C&EN, Jan. 25, page 19). I do agree that graphics processing unit (GPU) technology has made computer calculations faster in drug design. Using GPU technology in conjunction with advanced computer languages is really how the computer systems work.

One benefit to computer modeling is using scientific computer languages such as C++ and Python, which have made the calculations of advanced chemical mathematics much faster. Previously, the use of the Fortran language was acceptable for chemical math equations that were simplified. Continued advancement in computer hardware and languages will spur growth for future years.

Mike Renier
South Range, Mich.

 
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