Chemistry | Computational Biology | Drug design AnoChem: Prediction of chemical structural abnormalities based on machine learning models. May 29, 2024
Bioinformatics | Computational Biology | Drug design | Infectious Diseases | Pharmacology Integrated Computational Approaches for Drug Design Targeting Cruzipain. April 13, 2024
Bioinformatics | Computer Science | Drug design A new paradigm for applying deep learning to protein-ligand interaction prediction. April 6, 2024
Drug design | Oncology | Pharmacology Revisiting methotrexate and phototrexate Zinc15 library-based derivatives using deep learning drug design approach. April 5, 2024
Bioinformatics | Computational Chemistry | Drug design PROTACable Is an Integrative Computational Pipeline of 3-D Modeling and Deep Learning To Automate the De Novo Design of PROTACs. March 20, 2024
Bioinformatics | Drug design GraphsformerCPI: Graph Transformer for Compound-Protein Interaction Prediction. March 8, 2024
Bioinformatics | Computational Chemistry | Drug design Prediction of protein-ligand binding affinity via deep learning models. March 6, 2024
Bioinformatics | Computational Biology | Drug design Design of target specific peptide inhibitors using generative deep learning and molecular dynamics simulations. February 21, 2024
Drug design | Metabolic Diseases | Pharmacology Engineering novel scaffolds for specific HDAC11 inhibitors against metabolic diseases exploiting deep learning, virtual screening, and molecular dynamics simulations. February 10, 2024
Biomedical Informatics | Drug design | Pharmaceutical Sciences RediscMol: Benchmarking Molecular Generation Models in Biological Properties. January 5, 2024
Artificial Intelligence | Drug design | Pharmacology Is fragment-based graph a better graph-based molecular representation for drug design? A comparison study of graph-based models. January 3, 2024
Drug design | Medicinal Chemistry Geometric Deep Learning for Structure-Based Ligand Design. January 1, 2024