Computer-Aided Antibody Design

Antibody sequence and structure analyses using IMGT®: 30 years of immunoinformatics.- Structural Classification of CDR-H3 in Single-Domain VHH Antibodies.- Computational modelling of Antibody and T Cell receptor (CDR3 loops).- Molecular dynamics simulation for investigating antigen-antibody interaction.- Molecular Dynamics Methods for Antibody Design.- Probing antibody dynamics with geometric simulations.- PITHA: a webtool to predict immunogenicity for humanized and fully human therapeutic antibodies.- Thermal Stability Estimation of Single Domain Antibodies Using Molecular Dynamics Simulations.- Assessing and engineering antibody stability using experimental and computational methods.- In Silico Prediction Method for Protein Asparagine Deamidation.- Structure-based Optimization of Antibody-Based Biotherapeutics for Improved Developability: A Practical Guide for Molecular Modelers.- B-cell epitope predictions using computational methods.- Computational Epitope Prediction and Design for Antibody Development and Detection.- Information-driven antibody-antigen modelling with HADDOCK.- Structural modeling of adaptive immune responses to infection.- Protein-Protein Interaction Modelling with the Fragment Molecular Orbital Method.- Structural Considerations in Affinity Maturation of Antibody-Based Biotherapeutic Candidates.- Structure-based affinity maturation of antibody based on double-point mutations.- Antibody affinity maturation using computational methods: from an initial hit to small scale expression of optimised binders.- Optimizing Antibody-Antigen Binding Affinities with the ADAPT Platform.- Using graph-based signatures to guide rational antibody engineering.- A computational framework for determining the breadth of antibodies against highly mutable pathogens.- Analytical method for experimental validation of computer-designed antibody.- Computational analysis of antibody paratopes for antibody sequences in antibody libraries.- Bioinformatic Analysis of Natively Paired VH:VL Antibody Repertoires for Antibody Discovery.- Analyzing antibody repertoire using next-generation sequencing and machine learning.- A computational pipeline for predicting cancer neoepitopes.