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.
Quantum@linkedin.com
Contacts: office@q-pharm.com or comment any post on the site. You are welcome!
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false positive Archive
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Self-consistent solvation energy contribution calculation for protein-ligand complexes
Posted on January 13, 2009 | No CommentsSolvation energy is a major contribution to a ligand binding energy and is the interaction pretty much responsible for binding selectivity. Actual calculation of the solvation energy requires a method... -
Protein Flexibility and False Positives detection.
Posted on May 26, 2008 | No CommentsStandard hit identification procedure with QUANTUM software implies screening of a large compound library against a given protein target. An example of such procedure for a small set of compounds... -
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...