Computational and artificial intelligence-based methods for antibody development
Due to their high target specificity and binding affinity, therapeutic antibodies are currently
the largest class of biotherapeutics. The traditional largely empirical antibody development …
the largest class of biotherapeutics. The traditional largely empirical antibody development …
Progress and challenges for the machine learning-based design of fit-for-purpose monoclonal antibodies
Although the therapeutic efficacy and commercial success of monoclonal antibodies (mAbs)
are tremendous, the design and discovery of new candidates remain a time and cost …
are tremendous, the design and discovery of new candidates remain a time and cost …
RCSB Protein Data Bank (RCSB. org): delivery of experimentally-determined PDB structures alongside one million computed structure models of proteins from …
Abstract The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB
PDB), founding member of the Worldwide Protein Data Bank (wwPDB), is the US data center …
PDB), founding member of the Worldwide Protein Data Bank (wwPDB), is the US data center …
Antigen-specific antibody design and optimization with diffusion-based generative models for protein structures
Antibodies are immune system proteins that protect the host by binding to specific antigens
such as viruses and bacteria. The binding between antibodies and antigens is mainly …
such as viruses and bacteria. The binding between antibodies and antigens is mainly …
De novo design of protein interactions with learned surface fingerprints
Physical interactions between proteins are essential for most biological processes
governing life. However, the molecular determinants of such interactions have been …
governing life. However, the molecular determinants of such interactions have been …
SARS-CoV-2 neutralizing antibody structures inform therapeutic strategies
Abstract The coronavirus disease 2019 (COVID-19) pandemic presents an urgent health
crisis. Human neutralizing antibodies that target the host ACE2 receptor-binding domain …
crisis. Human neutralizing antibodies that target the host ACE2 receptor-binding domain …
Protein design with guided discrete diffusion
A popular approach to protein design is to combine a generative model with a discriminative
model for conditional sampling. The generative model samples plausible sequences while …
model for conditional sampling. The generative model samples plausible sequences while …
Benchmarking AlphaFold for protein complex modeling reveals accuracy determinants
High‐resolution experimental structural determination of protein–protein interactions has led
to valuable mechanistic insights, yet due to the massive number of interactions and …
to valuable mechanistic insights, yet due to the massive number of interactions and …
[HTML][HTML] Structures of human antibodies bound to SARS-CoV-2 spike reveal common epitopes and recurrent features of antibodies
CO Barnes, AP West, KE Huey-Tubman… - Cell, 2020 - cell.com
Neutralizing antibody responses to coronaviruses mainly target the receptor-binding domain
(RBD) of the trimeric spike. Here, we characterized polyclonal immunoglobulin Gs (IgGs) …
(RBD) of the trimeric spike. Here, we characterized polyclonal immunoglobulin Gs (IgGs) …
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 …
generation of antibody 3D structures and sequences. AbDiffuser is built on top of a new …