AIMC Topic: Cyclin-Dependent Kinases

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Deriving general structure-activity/selectivity relationship patterns for different subfamilies of cyclin-dependent kinase inhibitors using machine learning methods.

Scientific reports Jul 3, 2024
Cyclin-dependent kinases (CDKs) play essential roles in regulating the cell cycle and are among the most critical targets for cancer therapy and drug discovery. The primary objective of this research is to derive general structure-activity relationsh...
Humans Neural Networks, Computer Machine Learning Drug Discovery Structure-Activity Relationship Protein Kinase Inhibitors Cyclin-Dependent Kinases
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Structure-independent machine-learning predictions of the CDK12 interactome.

Biophysical journal May 18, 2024
Cyclin-dependent kinase 12 (CDK12) is a critical regulatory protein involved in transcription and DNA repair processes. Dysregulation of CDK12 has been implicated in various diseases, including cancer. Understanding the CDK12 interactome is pivotal f...
Humans Machine Learning Protein Interaction Maps Protein Binding Cyclin-Dependent Kinases
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Development, validation, and evaluation of a deep learning model to screen cyclin-dependent kinase 12 inhibitors in cancers.

European journal of medicinal chemistry Feb 17, 2023
Deep learning-based in silico alternatives have been demonstrated to be of significant importance in the acceleration of the drug discovery process and enhancement of success rates. Cyclin-dependent kinase 12 (CDK12) is a transcription-related cyclin...
Humans Female Breast Neoplasms Molecular Docking Simulation Deep Learning Cyclin-Dependent Kinases
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Characterizing CDK12-Mutated Prostate Cancers.

Clinical cancer research : an official journal of the American Association for Cancer Research Sep 28, 2020
PURPOSE: Cyclin-dependent kinase 12 (CDK12) aberrations have been reported as a biomarker of response to immunotherapy for metastatic castration-resistant prostate cancer (mCRPC). Herein, we characterize CDK12-mutated mCRPC, presenting clinical, geno...
Humans Artificial Intelligence Prognosis Tumor Microenvironment Male Genomics Prostatic Neoplasms Cyclin-Dependent Kinases
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Development of CDK-targeted scoring functions for prediction of binding affinity.

Biophysical chemistry Feb 1, 2018
Cyclin-dependent kinase (CDK) is an interesting biological macromolecule due to its role in cell cycle progression, transcription control, and neuronal development, to mention the most studied biological activities. Furthermore, the availability of h...
Machine Learning Ligands Binding Sites Cyclin-Dependent Kinases
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Binding Activity Prediction of Cyclin-Dependent Inhibitors.

Journal of chemical information and modeling Jul 10, 2015
The Cyclin-Dependent Kinases (CDKs) are the core components coordinating eukaryotic cell division cycle. Generally the crystal structure of CDKs provides information on possible molecular mechanisms of ligand binding. However, reliable and robust est...
Machine Learning Algorithms Protein Binding Support Vector Machine Decision Trees Models, Molecular Bayes Theorem Protein Conformation Protein Kinase Inhibitors Chromosomes Cyclin-Dependent Kinases
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