DACS: from compound collections to rationally designed HTS library

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DACS: from compound collections to rationally designed HTS library

DACS (Database of available chemical compounds) was developed to design a HTS collection or focused libraries for the FMP Screening Unit. But the dramatically increase of unique compounds of one order of magnitude from less than 10 to around 30 to 40 million compounds currently and approximately hundred million compounds in the next years requires a reorganization and redevelopment of the stora...

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The emergence of complex nano- and microstructures is of fundamental interest, and the ability to program their form has practical ramifications in fields such as optics, catalysis, and electronics. We developed carbonate-silica microstructures in a dynamic reaction-diffusion system that allow us to rationally devise schemes for precisely sculpting a great variety of elementary shapes by diffus...

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Rationally designed tumor-penetrating nanocomplexes.

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Rationally-designed vaccine adjuvants: separating efficacy from toxicity.

Adjuvants, substances included in many vaccines in order to improve immune responses, are challenging to develop and license because adjuvant compounds that stimulate strong protective immunity also frequently induce significant toxicity. Adjuvant design and development has until recently been largely empirical; but with the current knowledge that most adjuvants act via receptors of the innate ...

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Synthesis and Evaluation of a Rationally Designed Click-Based Library for G-Quadruplex Selective DNA Photocleavage.

DNA containing repeating G-rich sequences can adopt higher-order structures known as G-quadruplexes (G4). These structures are believed to form within telomeres and the promoter regions of some genes, particularly in a number of proto-oncogenes, where they may play a role in regulating transcription. Alternatively, G4 DNA may act as a barrier to replication. To investigate these potential biolo...

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ژورنال

عنوان ژورنال: Journal of Cheminformatics

سال: 2014

ISSN: 1758-2946

DOI: 10.1186/1758-2946-6-s1-p24