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This paper reports on an investigation of the possible influence of modelling errors on the relationship between the entropy and hydraulic reliability of water distribution systems. The errors are due to minor differences between the design optimisation and subsequent simulation models, which lead to small discrepancies between the capacity of the network… (More)
This Letter describes the further development and SAR exploration of a novel series of Legumain inhibitors. Based upon a previously identified Legumain inhibitor from our group, we explored the SAR of the carbamate phenyl ring system to probe the P3 pocket of the enzyme. This led to the identification of a sub-nanomolar inhibitor of Legumain.
Non-linear programming deals with the problem of optimizing an objective function in the presence of equality and inequality constraints. Most of the classical deterministic methods encounter two major problems: (i) the solution obtained is heavily dependent on the starting solution: and (ii) the methods often converge to inferior local optima. This paper… (More)
This Letter describes the continued SAR exploration of small molecule Legumain inhibitors with the aim of developing a potent and selective in vitro tool compound. Work continued in this Letter explores the use of alternative P2-P3 linker units and the P3 group SAR which led to the identification of 10t, a potent, selective and cellularly active Legumain… (More)