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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docking Archive
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![QUANTUM employs quantum mechanics, thermodynamics, and an advanced continuous water model for solvation effects to calculate ligands binding affinities. This approach differs dramatically from scoring functions that are commonly used [...]](http://q-pharm.com/wp-content/themes/arras-theme/images/thumbnail.png "QUANTUM free energy vs. statistical scoring functions")
QUANTUM free energy vs. statistical scoring functions
Posted on May 15, 2007 | No CommentsQUANTUM employs quantum mechanics, thermodynamics, and an advanced continuous water model for solvation effects to calculate ligands binding affinities. This approach differs dramatically from scoring functions that are commonly used [...] -
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 [...] -
What makes a correct binding energy calculation?
Posted on January 19, 2007 | No CommentsA correct calculation of a ligand binding affinity requires proper account of a few large contributions at the same time. The final value of the binding free energy is the [...]