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Receptors, Opioid, kappa

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Novel Big Data-Driven Machine Learning Models for Drug Discovery Application.

Molecules (Basel, Switzerland)
Most contemporary drug discovery projects start with a 'hit discovery' phase where small chemicals are identified that have the capacity to interact, in a chemical sense, with a protein target involved in a given disease. To assist and accelerate thi...

De Novo Design of κ-Opioid Receptor Antagonists Using a Generative Deep-Learning Framework.

Journal of chemical information and modeling
Likely effective pharmacological interventions for the treatment of opioid addiction include attempts to attenuate brain reward deficits during periods of abstinence. Pharmacological blockade of the κ-opioid receptor (KOR) has been shown to abolish b...