نتایج جستجو برای: lipinski

تعداد نتایج: 185  

2008
BRANDON ABBS

Five experiments examined whether overt repetition (i.e., saying a word aloud) during exposure is critical to the expressive learning of new words. When participants did not engage in overt repetition during exposure, they nevertheless exhibited clear expressive learning, both with and without an accompanying semantics, indicating that overt repetition is not critical to expressive word learnin...

Journal: :Cell chemical biology 2021

•A helical DFG motif causes slow ligand dissociation rates in FAK but not PYK2•NanoBRET represents a versatile method measuring cells•?RAMD simulation provides tool for accurate ligand-binding kinetic predictions There is increasing evidence of significant correlation between prolonged drug-target residence time and increased drug efficacy. Here, we report structural rationale selectivity two c...

Journal: :Cell chemical biology 2021

Proteolysis-targeting chimeras (PROTACs) that degrade disease-causing proteins by hijacking the endogenous ubiquitin-proteasome system have emerged as an exciting and transformative technology in both chemical biology drug discovery. Currently, majority of PROTACs use reversible non-covalent ligands for target protein interest (POI) E3 ligase. In this review, we explore burgeoning role irrevers...

Journal: :Trends in chemistry 2021

Virtual libraries used in molecular discovery are often too large to exhaustively evaluate, warranting the use of algorithms help with exploration.Algorithmic approaches like Bayesian optimization can efficiently navigate predefined chemical spaces combination surrogate models.On-the-fly generation during exploration enables even larger be searched, including deep-learning-based models, althoug...

2009
Matthias Adam Alfred Nordmann

Drug development regularly has to deal with complex circumstances on two levels: the local level of pharmacological intervention on specific target proteins, and the systems level of the effects of pharmacological intervention on the organism. Different development strategies in the recent history of early drug development can be understood as competing attempts at coming to grips with these mu...

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