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Combinatorial Clustering of Residue Position Subsets Predicts Inhibitor Affinity across the Human Kinome
, 2012
"... The protein kinases are a large family of enzymes that play fundamental roles in propagating signals within the cell. Because of the high degree of binding site similarity shared among protein kinases, designing drug compounds with high specificity among the kinases has proven difficult. However, co ..."
Abstract
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Cited by 4 (2 self)
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, computational approaches to comparing the 3-dimensional geometry and physicochemical properties of key binding site residue positions have been shown to be informative of inhibitor selectivity. The Combinatorial Clustering Of Residue Position Subsets (CCORPS) method, introduced here, provides a semi
Structure-Guided Selection of Specificity Determining Positions in the
"... Abstract—It is well-known that inhibitors of protein kinases bind with very different selectivity profiles. This is also the case for inhibitors of many other protein families. A better understanding of binding selectivity would enhance the design of drugs that target only a subfamily, thereby minim ..."
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of certain inhibitors is achieved, which is useful for lead optimization. In addition, the algorithm can also be used to predict binding affinities for structures whose affinity for a given inhibitor is unknown. The algorithm’s performance is demonstrated using an extensive dataset for the human kinome
Ten Years and Counting: Moving Leucine-Rich Repeat Kinase 2 Inhibitors to the Clinic
"... A B S T R AC T : The burden that Parkinson's disease (PD) exacts on the population continues to increase year after year. Though refinement of symptomatic treatments continues at a reasonable pace, no accepted therapies are available to slow or prevent disease progression. The leucine-rich rep ..."
Abstract
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Cited by 1 (0 self)
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are made for predictive preclinical modeling and successful first-in-human trials. The upcoming tenth anniversary of the discovery of mutations in the leucine-rich repeat kinase 2 (LRRK2) gene in Parkinson's disease (PD) highlights numerous achievements in discovery and innovation Optimism also
unknown title
"... CLYBL is a polymorphic human enzyme with malate synthase and -methylmalate synthase activity ..."
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CLYBL is a polymorphic human enzyme with malate synthase and -methylmalate synthase activity
Scenario Generation and Reduction for Long-term and Short-term Power System Generation Planning under Uncertainties
"... ii ..."
TO CODE OR NOT TO CODE
, 2002
"... de nationalité suisse et originaire de Zurich (ZH) et Lucerne (LU) acceptée sur proposition du jury: ..."
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de nationalité suisse et originaire de Zurich (ZH) et Lucerne (LU) acceptée sur proposition du jury:
