Bioinformatics | Chemoinformatics | Computational Biology SAnDReS 2.0: Development of machine-learning models to explore the scoring function space. June 20, 2024
Chemistry | Drug Discovery | Pharmacology Optimization of binding affinities in chemical space with generative pre-trained transformer and deep reinforcement learning. March 4, 2024
Biochemistry | Molecular Biology | Virology Binding affinity between coronavirus spike protein and human ACE2 receptor. February 2, 2024
Bioinformatics | Structural Biology Deep Local Analysis deconstructs protein-protein interfaces and accurately estimates binding affinity changes upon mutation. June 30, 2023
Drug Discovery | Molecular Biology | Pharmaceutical Sciences LIMO: Latent Inceptionism for Targeted Molecule Generation. October 4, 2022
Biochemistry | Biomolecular Interactions | Biosensing | Drug Action Easy and Rapid Approach to Obtaining the Binding Affinity of Biomolecular Interactions Based on the Deep Learning Boost. July 15, 2022
Drug Development | Pharmacology Exploration and augmentation of pharmacological space via adversarial auto-encoder model for facilitating kinase-centric drug development. December 7, 2021
Bioinformatics | Biology | Immunology In silico design of MHC class I high binding affinity peptides through motifs activation map. March 20, 2019