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Titlebook: Computer-Aided Antibody Design; Kouhei Tsumoto,Daisuke Kuroda Book 2023 Springer Science+Business Media, LLC, part of Springer Nature 2023

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https://doi.org/10.1057/9780230233850s. This method measures the .-value, the fraction of the native contacts, along the trajectory of high-temperature MD simulations starting from the experimental X-ray structure. We show a good correlation between the .-value and the experimental melting temperature (.) in seven sdAbs. Assessing the
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Anna Kicinger,Agnieszka Weinar,Agata Górnydies. A fundamental prerequisite is the identification of antigenic regions that are most prone to interact with antibodies, namely, B-cell epitopes. Here, we describe an efficient structure-based computational method for epitope prediction, called MLCE. In this approach, all that is required is the
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Anna Kicinger,Agnieszka Weinar,Agata Górnys used to study and characterize them. Effective design and engineering of antibodies for therapeutic purposes are heavily dependent on knowledge of the structural principles that regulate antibody–antigen interactions. Several experimental techniques such as X-ray crystallography, cryo-electron mic
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Anna Kicinger,Agnieszka Weinar,Agata Górnyhow to use such data to understand adaptive immune responses to disease. Infectious disease is of particular interest because the antigens driving such responses are often known to some extent. Here, we describe tips for gathering data and cleaning it for use in downstream analysis. We present a met
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