Oncology Investigation of the MDM2-binding potential of de novo designed peptides using enhanced sampling simulations. April 28, 2024
Bioinformatics | Drug Discovery | Proteomics Integrating Protein Structure Prediction and Bayesian Optimization for Peptide Design. April 1, 2024
Bioinformatics | Computational Biology Generative β-Hairpin Design Using a Residue-Based Physicochemical Property Landscape. February 1, 2024
Bioinformatics | Drug Development | Immunology Accelerated NLRP3 inflammasome-inhibitory peptide design using a recurrent neural network model and molecular dynamics simulations. October 19, 2023
Bioinformatics | Biology | Pharmacology Using molecular dynamics simulations to prioritize and understand AI-generated cell penetrating peptides. May 21, 2021
Bioinformatics | Oncology | Pharmacology Computational design of antagonist peptides based on the structure of secreted frizzled-related protein-1 (SFRP1) aiming to inhibit Wnt signaling pathway. November 6, 2020
Artificial Intelligence | Bioinformatics | Pharmacology Relevant Applications of Generative Adversarial Networks in Drug Design and Discovery: Molecular Design, Dimensionality Reduction, and Peptide and Protein Design. August 6, 2020
Biochemistry | Oncology | Pharmacology Artificial Intelligence Approach to Find Lead Compounds for Treating Tumors. July 22, 2019