Dr. Irina Kufareva and her colleagues from UC San Diego have investigated quantum chemical approaches to computational drug research.
Quantum Chemical Drug Research
March 7, 2013 By Leave a Comment
Link to the original paper on Wiley Online Library
Oxidative damage in DNA-bases – potential for drug design
August 21, 2012 By Leave a Comment
Prof. Mishra’s group at Banaras Hindu University, India has exhaustively studied two specific reactions of hydroxyl and perhydroxyl radicals.
Link to the original paper on Wiley Online Library
Combined STM and DFT studies of rutile surface chemistry
July 20, 2012 By Leave a Comment
New work looks at recent progress in STM and DFT studies on the electronic structure of reduced rutile titanium dioxide.
Link to the original paper on Wiley Online Library
Is coffee healthier for you when you’re drunk?
April 18, 2012 By Leave a Comment
Antioxidants found in coffee get more effective in non-polar environments.
Link to the original paper on Wiley Online Library
Fourteen steps to DFT Nirvana
April 16, 2012 By Leave a Comment
Density Functional Theory (DFT) is a versatile and powerful quantum mechanical modeling technique.
Link to the original paper on Wiley Online Library
A better way of finding nanoclusters in STEM data
February 7, 2012 By 2 Comments
Researchers develop near-atomic resolution in STEM using spherical aberration correction.
Link to the original paper on Wiley Online Library
