Computer Science | Drug Discovery Developing an Improved Cycle Architecture for AI-Based Generation of New Structures Aimed at Drug Discovery. April 13, 2024
Bioinformatics | Computational Biology | Drug design | Infectious Diseases | Pharmacology Integrated Computational Approaches for Drug Design Targeting Cruzipain. April 13, 2024
Bioinformatics | Computational Biology | Molecular Biology Epitope Identification of an mGlu5 Receptor Nanobody Using Physics-Based Molecular Modeling and Deep Learning Techniques. February 29, 2024
Environmental Science | Toxicology Screening androgen receptor agonists of fish species using machine learning and molecular model in NORMAN water-relevant list. February 23, 2024
Chemistry | Molecular Biology | Pharmacology Enhancing geometric representations for molecules with equivariant vector-scalar interactive message passing. January 5, 2024
Bioinformatics | Immunology | Molecular Biology Machine-learning-based Structural Analysis of Interactions between Antibodies and Antigens. December 18, 2023
Gastroenterology | Molecular Biology | Oncology A Proposal for a Consolidated Structural Model of the CagY Protein of . December 9, 2023
Biochemistry | Drug Discovery | Pharmacology Determination of Novel SARS-CoV-2 Inhibitors by Combination of Machine Learning and Molecular Modeling Methods. November 14, 2023
Bioinformatics | Computational Chemistry | Pharmacology Integrated Molecular Modeling and Machine Learning for Drug Design. October 26, 2023
Bioinformatics | Chemistry | Oncology | Pharmacology Combined Deep Learning and Molecular Modeling Techniques on the Virtual Screening of New mTOR Inhibitors from the Thai Mushroom Database. October 23, 2023
Bioinformatics | Medicine | Protein Engineering Computational protein design – where it goes? June 5, 2023
Pharmacology | Virology AI-Driven De Novo Design and Molecular Modeling for Discovery of Small-Molecule Compounds as Potential Drug Candidates Targeting SARS-CoV-2 Main Protease. May 13, 2023