Bioinformatics | Medicinal Chemistry | Molecular Biology | Pharmacology Artificial intelligence based de-novo design for novel plasmepsin (PM) X inhibitors. November 9, 2023
Artificial Intelligence | Drug Discovery | Pharmacology DeepADRA2A: predicting adrenergic α2a inhibitors using deep learning. October 14, 2023
Artificial Intelligence | Bioinformatics | Biological Sciences | Biomedical Engineering | Biophysics | Computational Biology | Proteomics Disclosing the locale of transmembrane proteins within cellular alcove by machine learning approach: systematic review and meta analysis. September 28, 2023
Pharmacology | Virology A structural-based virtual screening and validation reveals novel effective inhibitors for SARS-CoV-2 helicase and endoribonuclease. August 24, 2023
Biochemistry | Structural Biology Effect of cysteine mutation at Ca coordinating residues to the autolysis, folding and hydrophobicity of full length and mature Rand protease: molecular dynamics simulation and essential dynamics. August 23, 2023
Bioinformatics | Cell Biology | Genetics A bi-layer model for identification of piwiRNA using deep neural learning. August 23, 2023
Biochemistry | Drug design | Pharmacology Unraveling effective extracellular signal-regulated kinase 2 inhibitors: a drug design strategy enhanced by in-depth analyses. August 16, 2023
Oncology | Pharmacology AndroPred: an artificial intelligence-based model for predicting androgen receptor inhibitors. July 26, 2023
Computational Biology | Pharmacology De novo generation of dual-target ligands for the treatment of SARS-CoV-2 using deep learning, virtual screening, and molecular dynamic simulations. July 14, 2023
Radiology ConvCoroNet: a deep convolutional neural network optimized with iterative thresholding algorithm for Covid-19 detection using chest X-ray images. June 24, 2023
Molecular Biology | Oncology | Pharmacology Discovery of novel PARP-1 inhibitors using tandem studies: integrated docking, e-pharmacophore, deep learning based de novo and molecular dynamics simulation approach. May 22, 2023
Drug Discovery | Marine Biology | Pharmacology A deep learning and docking simulation-based virtual screening strategy enables the rapid identification of HIF-1α pathway activators from a marine natural product database. April 11, 2023