AI Medical Compendium Journal:
Journal of enzyme inhibition and medicinal chemistry

Showing 1 to 2 of 2 articles

Identification of novel CDK2 inhibitors by a multistage virtual screening method based on SVM, pharmacophore and docking model.

Journal of enzyme inhibition and medicinal chemistry Dec 1, 2020
Cyclin-dependent kinase 2 (CDK2) is the family of Ser/Thr protein kinases that has emerged as a highly selective with low toxic cancer therapy target. A multistage virtual screening method combined by SVM, protein-ligand interaction fingerprints (PLI...
Humans Molecular Docking Simulation Antineoplastic Agents Cell Proliferation Support Vector Machine Dose-Response Relationship, Drug Drug Screening Assays, Antitumor Structure-Activity Relationship A549 Cells Molecular Structure Drug Evaluation, Preclinical HCT116 Cells Protein Kinase Inhibitors Cyclin-Dependent Kinase 2
View on PubMed DOI

Compressed images for affinity prediction-2 (CIFAP-2): an improved machine learning methodology on protein-ligand interactions based on a study on caspase 3 inhibitors.

Journal of enzyme inhibition and medicinal chemistry Jan 1, 2015
The aim of this study is to propose an improved computational methodology, which is called Compressed Images for Affinity Prediction-2 (CIFAP-2) to predict binding affinities of structurally related protein-ligand complexes. CIFAP-2 method is establi...
Humans Machine Learning Dose-Response Relationship, Drug Caspase 3 Regression Analysis Structure-Activity Relationship Molecular Structure Sulfonamides Ligands Enzyme Inhibitors
View on PubMed DOI
Popular Topics
Popular Journals