Shek Ling Chan

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A comprehensive data set of aligned ligands with highly similar binding pockets from the Protein Data Bank has been built. Based on this data set, a scoring function for recognizing good alignment poses for small molecules has been developed. This function is based on atoms and hydrogen-bond projected features. The concept is simply that atoms and features(More)
The goals were (1) to understand the driving forces in the binding of small molecule inhibitors to the active site of PTP1B and (2) to develop a molecular mechanics-based empirical free energy function for compound potency prediction. A set of compounds with known activities was docked onto the active site. The related energy components and molecular(More)
Synopsis A short review for design consideration of two common materials used in facade and curtain walling is presented. The characteristics of lightweight facade enveloping a building are different from the conventional steel or concrete structures. Glass cannot crack like concrete and it is much more brittle than steel. Aluminum involves many buckling(More)
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