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 …
Antibody structure and function: the basis for engineering therapeutics
ML Chiu, DR Goulet, A Teplyakov, GL Gilliland - Antibodies, 2019 - mdpi.com
Antibodies and antibody-derived macromolecules have established themselves as the
mainstay in protein-based therapeutic molecules (biologics). Our knowledge of the structure …
mainstay in protein-based therapeutic molecules (biologics). Our knowledge of the structure …
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 …
Coarse-grained protein models and their applications
The traditional computational modeling of protein structure, dynamics, and interactions
remains difficult for many protein systems. It is mostly due to the size of protein …
remains difficult for many protein systems. It is mostly due to the size of protein …
The immune epitope database and analysis resource in epitope discovery and synthetic vaccine design
The task of epitope discovery and vaccine design is increasingly reliant on bioinformatics
analytic tools and access to depositories of curated data relevant to immune reactions and …
analytic tools and access to depositories of curated data relevant to immune reactions and …
Computational optimization of antibody humanness and stability by systematic energy-based ranking
A Tennenhouse, L Khmelnitsky, R Khalaila… - Nature biomedical …, 2024 - nature.com
Conventional methods for humanizing animal-derived antibodies involve grafting their
complementarity-determining regions onto homologous human framework regions …
complementarity-determining regions onto homologous human framework regions …
Machine-designed biotherapeutics: opportunities, feasibility and advantages of deep learning in computational antibody discovery
W Wilman, S Wróbel, W Bielska… - Briefings in …, 2022 - academic.oup.com
Antibodies are versatile molecular binders with an established and growing role as
therapeutics. Computational approaches to developing and designing these molecules are …
therapeutics. Computational approaches to developing and designing these molecules are …
Serverification of molecular modeling applications: the Rosetta Online Server that Includes Everyone (ROSIE)
The Rosetta molecular modeling software package provides experimentally tested and
rapidly evolving tools for the 3D structure prediction and high-resolution design of proteins …
rapidly evolving tools for the 3D structure prediction and high-resolution design of proteins …
NanoNet: Rapid and accurate end-to-end nanobody modeling by deep learning
T Cohen, M Halfon… - Frontiers in …, 2022 - frontiersin.org
Antibodies are a rapidly growing class of therapeutics. Recently, single domain camelid
VHH antibodies, and their recognition nanobody domain (Nb) appeared as a cost-effective …
VHH antibodies, and their recognition nanobody domain (Nb) appeared as a cost-effective …
RosettaAntibodyDesign (RAbD): A general framework for computational antibody design
J Adolf-Bryfogle, O Kalyuzhniy, M Kubitz… - PLoS computational …, 2018 - journals.plos.org
A structural-bioinformatics-based computational methodology and framework have been
developed for the design of antibodies to targets of interest. RosettaAntibodyDesign (RAbD) …
developed for the design of antibodies to targets of interest. RosettaAntibodyDesign (RAbD) …