Computational and artificial intelligence-based methods for antibody development

J Kim, M McFee, Q Fang, O Abdin, PM Kim - Trends in pharmacological …, 2023 - cell.com
Due to their high target specificity and binding affinity, therapeutic antibodies are currently
the largest class of biotherapeutics. The traditional largely empirical antibody development …

[HTML][HTML] Advances in computational structure-based antibody design

AM Hummer, B Abanades, CM Deane - Current opinion in structural biology, 2022 - Elsevier
Antibodies are currently the most important class of biotherapeutics and are used to treat
numerous diseases. Recent advances in computational methods are ushering in a new era …

Efficient evolution of human antibodies from general protein language models

BL Hie, VR Shanker, D Xu, TUJ Bruun… - Nature …, 2024 - nature.com
Natural evolution must explore a vast landscape of possible sequences for desirable yet
rare mutations, suggesting that learning from natural evolutionary strategies could guide …

Progen2: exploring the boundaries of protein language models

E Nijkamp, JA Ruffolo, EN Weinstein, N Naik, A Madani - Cell systems, 2023 - cell.com
Attention-based models trained on protein sequences have demonstrated incredible
success at classification and generation tasks relevant for artificial-intelligence-driven …

AbDiffuser: full-atom generation of in-vitro functioning antibodies

K Martinkus, J Ludwiczak, WC Liang… - Advances in …, 2024 - proceedings.neurips.cc
We introduce AbDiffuser, an equivariant and physics-informed diffusion model for the joint
generation of antibody 3D structures and sequences. AbDiffuser is built on top of a new …

Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodies

JA Ruffolo, LS Chu, SP Mahajan, JJ Gray - Nature communications, 2023 - nature.com
Antibodies have the capacity to bind a diverse set of antigens, and they have become critical
therapeutics and diagnostic molecules. The binding of antibodies is facilitated by a set of six …

xTrimoPGLM: unified 100B-scale pre-trained transformer for deciphering the language of protein

B Chen, X Cheng, P Li, Y Geng, J Gong, S Li… - arXiv preprint arXiv …, 2024 - arxiv.org
Protein language models have shown remarkable success in learning biological information
from protein sequences. However, most existing models are limited by either autoencoding …

Structure-informed language models are protein designers

Z Zheng, Y Deng, D Xue, Y Zhou… - … on machine learning, 2023 - proceedings.mlr.press
This paper demonstrates that language models are strong structure-based protein
designers. We present LM-Design, a generic approach to reprogramming sequence-based …

Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodies

JA Ruffolo, JJ Gray - Biophysical Journal, 2022 - cell.com
1Program in Molecular Biophysics, Johns Hopkins University, Baltimore, MD, USA,
2Department of Chemical and Biomolecular Engineering, Johns Hopkins University …

IgLM: Infilling language modeling for antibody sequence design

RW Shuai, JA Ruffolo, JJ Gray - Cell Systems, 2023 - cell.com
Discovery and optimization of monoclonal antibodies for therapeutic applications relies on
large sequence libraries but is hindered by developability issues such as low solubility, high …