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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Quantum Software Archive
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![Quantum Free energy calculation software in combination with the docking tools and clustering tools to “zip” the amount of work required to screen the large libraries of the available chemical [...]](http://q-pharm.com/wp-content/uploads/2010/07/influenza.png "Beefing up the pipeline: new leads against influenza virus identified")
Beefing up the pipeline: new leads against influenza virus identified
Posted on September 20, 2010 | No CommentsQuantum Free energy calculation software in combination with the docking tools and clustering tools to “zip” the amount of work required to screen the large libraries of the available chemical [...] -
![Increasing 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 [...]](http://q-pharm.com/wp-content/themes/arras-theme/images/thumbnail.png "Application of a novel in silico high throughput screen to identify selective inhibitors for protein–protein interactions")
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 [...] -
![Recently, RecA has established itself as a potential target for the development of antibacterial drugs. The dual function of recA allows bacteria both to control the damage associated with the [...]](http://q-pharm.com/wp-content/uploads/2010/07/recAhits.png "New inhibitors of RecA (bacterial SOS response system) identified.")
New inhibitors of RecA (bacterial SOS response system) identified.
Posted on July 14, 2010 | 2 CommentsRecently, RecA has established itself as a potential target for the development of antibacterial drugs. The dual function of recA allows bacteria both to control the damage associated with the [...] -
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 [...] -
Free energy perturbation theory for accurate IC50 calculations
Posted on June 27, 2009 | No CommentsFree Energy perturbation molecular dynamics demonstration. The calculation lets the molecule escape from the binding site and give the free energy difference, directly related to the binding affinity