DEVELOPMENT AND APPLICATIONS OF THE HINT FORCEFIELD IN PREDICTION OF ANTIBIOTIC EFFLUX AND VIRTUAL SCREENING FOR ANTIVIRALS
This work was aimed at developing novel tools that utilize HINT, an empirical forcefield capable of quantitating both hydrophobic and hydrophilic (hydropathic) interactions, for implementation in theoretical biology and drug discovery/design. The role of hydrophobicity in determination of macromol...
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| Format: | Others |
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VCU Scholars Compass
2010
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| Online Access: | http://scholarscompass.vcu.edu/etd/2266 http://scholarscompass.vcu.edu/cgi/viewcontent.cgi?article=3265&context=etd |