32 research outputs found
A two-step target binding and selectivity support vector machines approach for virtual screening of dopamine receptor subtype-selective ligands
Get PDF10.1371/journal.pone.0039076PLoS ONE76
Free Energy Analysis of the Conformational Preferences of A and B Forms of DNA in Solution
No full texteCounterscreening: Using QSAR Predictions to Prioritize Testing for Off-Target Activities and Setting the Balance between Benefit and Risk
No full textThymol and related alkyl phenols activate the hTRPA1 channel
No full textBackground and purpose: Thymol, a major component of thyme and oregano, has medical uses in oral care products as an astringent and antibiotic. Its distinctive sharp odour and pungent flavour are considered aversive properties. The molecular basis of these aversive properties is not well understood
Statistical Thermodynamic Approach for Evaluating the Writhe Transformations in Circular DNAs
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QSAR Models for Predicting the Similarity in Binding Profiles for Pairs of Protein Kinases and the Variation of Models between Experimental Data Sets
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