Macromolecular modeling and design in Rosetta: recent methods and frameworks
The Rosetta software for macromolecular modeling, docking and design is extensively used
in laboratories worldwide. During two decades of development by a community of …
in laboratories worldwide. During two decades of development by a community of …
Unraveling the role of linker design in proteolysis targeting chimeras: Miniperspective
A current bottleneck in the development of proteolysis targeting chimeras (PROTACs) is the
empirical nature of linker length structure–activity relationships (SARs). A multidisciplinary …
empirical nature of linker length structure–activity relationships (SARs). A multidisciplinary …
Antibody structure prediction using interpretable deep learning
Therapeutic antibodies make up a rapidly growing segment of the biologics market.
However, rational design of antibodies is hindered by reliance on experimental methods for …
However, rational design of antibodies is hindered by reliance on experimental methods for …
Broadly neutralizing antibodies target a haemagglutinin anchor epitope
Broadly neutralizing antibodies that target epitopes of haemagglutinin on the influenza virus
have the potential to provide near universal protection against influenza virus infection …
have the potential to provide near universal protection against influenza virus infection …
De novo generation of SARS-CoV-2 antibody CDRH3 with a pre-trained generative large language model
Artificial Intelligence (AI) techniques have made great advances in assisting antibody
design. However, antibody design still heavily relies on isolating antigen-specific antibodies …
design. However, antibody design still heavily relies on isolating antigen-specific antibodies …
Nasal delivery of an IgM offers broad protection from SARS-CoV-2 variants
Resistance represents a major challenge for antibody-based therapy for COVID-19,,–. Here
we engineered an immunoglobulin M (IgM) neutralizing antibody (IgM-14) to overcome the …
we engineered an immunoglobulin M (IgM) neutralizing antibody (IgM-14) to overcome the …
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 …
Computational approaches to therapeutic antibody design: established methods and emerging trends
Antibodies are proteins that recognize the molecular surfaces of potentially noxious
molecules to mount an adaptive immune response or, in the case of autoimmune diseases …
molecules to mount an adaptive immune response or, in the case of autoimmune diseases …
Implications of antibody-dependent enhancement of infection for SARS-CoV-2 countermeasures
To the Editor—For certain diseases, patients who have been previously infected by one
strain of a virus and who are later infected by another strain can suffer outcomes that are …
strain of a virus and who are later infected by another strain can suffer outcomes that are …
Protein interaction interface region prediction by geometric deep learning
Motivation Protein–protein interactions drive wide-ranging molecular processes, and
characterizing at the atomic level how proteins interact (beyond just the fact that they …
characterizing at the atomic level how proteins interact (beyond just the fact that they …