Transformer technology in molecular science
A transformer is the foundational architecture behind large language models designed to
handle sequential data by using mechanisms of self‐attention to weigh the importance of …
handle sequential data by using mechanisms of self‐attention to weigh the importance of …
Generative AI: driving productivity and scientific breakthroughs in pharmaceutical R&D
Highlights•Generative AI accelerates discovery, improves targets, and boosts R&D
productivity.•Smarter assistants and generative biology in Horizon 1 revolutionize R&D …
productivity.•Smarter assistants and generative biology in Horizon 1 revolutionize R&D …
New Horizons: Pioneering Pharmaceutical R&D with Generative AI from lab to the clinic--an industry perspective
Deep learning-based design and experimental validation of a medicine-like human antibody library
N Rajagopal, U Choudhary, K Tsang… - Briefings in …, 2025 - academic.oup.com
Antibody generation requires the use of one or more time-consuming methods, namely
animal immunization, and in vitro display technologies. However, the recent availability of …
animal immunization, and in vitro display technologies. However, the recent availability of …
[HTML][HTML] A Comprehensive Overview of Recent Advances in Generative Models for Antibodies
F Meng, N Zhou, G Hu, R Liu, Y Zhang, M **g… - Computational and …, 2024 - Elsevier
Therapeutic antibodies are an important class of biopharmaceuticals. With the rapid
development of deep learning methods and the increasing amount of antibody data …
development of deep learning methods and the increasing amount of antibody data …
HELM-GPT: de novo macrocyclic peptide design using generative pre-trained transformer
Motivation Macrocyclic peptides hold great promise as therapeutics targeting intracellular
proteins. This stems from their remarkable ability to bind flat protein surfaces with high …
proteins. This stems from their remarkable ability to bind flat protein surfaces with high …
Development and experimental validation of computational methods for human antibody affinity enhancement
J Li, L Liao, C Zhang, K Huang, P Zhang… - Briefings in …, 2024 - academic.oup.com
High affinity is crucial for the efficacy and specificity of antibody. Due to involving high-
throughput screens, biological experiments for antibody affinity maturation are time …
throughput screens, biological experiments for antibody affinity maturation are time …
[HTML][HTML] Improving antibody optimization ability of generative adversarial network through large language model
W Zhao, X Luo, F Tong, X Zheng, J Li, G Zhao… - Computational and …, 2023 - Elsevier
Generative adversarial networks (GANs) have successfully generated functional protein
sequences. However, traditional GANs often suffer from inherent randomness, resulting in a …
sequences. However, traditional GANs often suffer from inherent randomness, resulting in a …
Leveraging Large Language Models to Predict Antibody Biological Activity Against Influenza A Hemagglutinin
Monoclonal antibodies (mAbs) represent one of the most prevalent FDA-approved
modalities for treating autoimmune diseases, infectious diseases, and cancers. However …
modalities for treating autoimmune diseases, infectious diseases, and cancers. However …
ProteinRL: Reinforcement learning with generative protein language models for property-directed sequence design
The overarching goal of protein engineering is the design and optimization of proteins
customized for specific purposes. Generative protein language models (PLMs) allow …
customized for specific purposes. Generative protein language models (PLMs) allow …