Quantum Discovery
Quantum Discovery Labs is a technology based drug discovery company. We develop a unique computational drug discovery platform (QUANTUM), provide drug discovery services, and pursue our own in-house drug discovery projects searching for novel compounds with anti-bacterial, anti-viral and anti-cancer efficacy.
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Contacts: office@q-pharm.com or comment any post on the site. You are welcome!
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selectivity Archive
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Application of a novel in silico high throughput screen to identify selective inhibitors for protein–protein interactions
Posted on August 5, 2010 | No CommentsIncreasing numbers of target protein structures available for computational studies makes the structure-based screening paradigm more attractive for initial hit indentification. We have developed a novel in silico screening methodology... -
Drug resistance: evolution in action
Posted on January 6, 2010 | 1 CommentIntroduction of drugs puts an evolutionary pressure on viruses and makes the viral proteins evolve. On the other hand, the change in the protein structure should be compatible with the... -
Docking selectivity: Additive vs. non-additive force field
Posted on April 19, 2007 | No CommentsThe free binding energy (F) of a small molecule and a protein is a non-additive complex function of individual interatomic interactions. There are two major contributing quantities leading to non-additivity...