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I am working on the well studied glucosidase - cancer relationship. During the work I have come across that beta-glucosidase is less abundant in cancer cells nevertheless human cytoplasm where...
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Dear fellow researchers, I have been studying potency of several phytoconstituent of Ayurveda medicinal plants against acetycholinesterase enzyme using a computational approach. I have understood...
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Dear fellow researchers, I have performed a transition state search for a suggested reaction coordinate at B3LYP/6-311+G** and was able to identify and confirm both the reactant and products...
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How would you recommend using semi-emperical method for a TS search and property calculation including verification of the TS using ab intio method?
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For MD Simulated protein-ligand complex I have extracted the ligand and the reacting residues(as mentioned in literature) for further kinetic study. I have imported this model to spartan software...
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