ArticleJournal of molecular recognition : JMR2016
Antibody humanization by molecular dynamics simulations-in-silico guided selection of critical backmutations.
Article in Journal of molecular recognition : JMR, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
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Who cites it
18 citing papers in PubMed, 35 citations in OpenAlex.
- Using Short Molecular Dynamics Simulations to Determine the Important Features of Interactions in Antibody-Protein Complexes.Proteins · 2025Article
- Plasticity of BioPhi-driven humanness optimization in ScFv-CD99 binding affinity validated through AlphaFold, HADDOCK, and MD simulations.Computational and structural biotechnology journal · 2025Article
- The Application of Machine Learning on Antibody Discovery and Optimization.Molecules (Basel, Switzerland) · 2024Review
- Immunoinformatics design and synthesis of a multi-epitope vaccine against Helicobacter pylori based on lipid nanoparticles.Scientific reports · 2024Article
- AntiFormer: graph enhanced large language model for binding affinity prediction.Briefings in bioinformatics · 2024Article
- A universal in silico V(D)J recombination strategy for developing humanized monoclonal antibodies.Journal of nanobiotechnology · 2022Article
- The influence of antibody humanization on shark variable domain (VNAR) binding site ensembles.Frontiers in immunology · 2022Article
- Optimization of anti-ADAMTS13 antibodies for the treatment of ADAMTS13-related bleeding disorder in patients receiving circulatory assist device support.Scientific reports · 2021Article
- Structural Basis of Antibody Conformation and Stability Modulation by Framework Somatic Hypermutation.Frontiers in immunology · 2021Article
- Surprisingly Fast Interface and Elbow Angle Dynamics of Antigen-Binding Fragments.Frontiers in molecular biosciences · 2020Article
- Antibody humanization-the Influence of the antibody framework on the CDR-H3 loop ensemble in solution.Protein engineering, design & selection : PEDS · 2019Article
- Role of antibody heavy and light chain interface residues in affinity maturation of binding to HIV envelope glycoprotein.Molecular systems design & engineering · 2019Article
- Neuropilin-1 Acts as a Receptor for Complement Split Products.Frontiers in immunology · 2019Article
- Humanization of Antibodies using a Statistical Inference Approach.Scientific reports · 2018Article
- Lessons learned from merging wet lab experiments with molecular simulation to improve mAb humanization.Protein engineering, design & selection : PEDS · 2018Article
- Thinking outside the Laboratory: Analyses of Antibody Structure and Dynamics within Different Solvent Environments in Molecular Dynamics (MD) Simulations.Antibodies (Basel, Switzerland) · 2018Article
- A human monocytic NF-κB fluorescent reporter cell line for detection of microbial contaminants in biological samples.PloS one · 2017Article
- Antibody humanization by molecular dynamics simulations-in-silico guided selection of critical backmutations.Journal of molecular recognition : JMR · 2016Article
Corrections and comments
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Authors and funding
4 authors at 1 institution in 1 country.
Funding
Abstract
Monoclonal antibodies represent the fastest growing class of biotherapeutic proteins. However, as they are often initially derived from rodent organisms, there is a severe risk of immunogenic reactions, hampering their applicability. The humanization of these antibodies remains a challenging task in the context of rational drug design. "Superhumanization" describes the direct transfer of the complementarity determining regions to a human germline framework, but this humanization approach often results in loss of binding affinity. In this study, we present a new approach for predicting promising backmutation sites using molecular dynamics simulations of the model antibody Ab2/3H6. The simulation method was developed in close conjunction with novel specificity experiments. Binding properties of mAb variants were evaluated directly from crude supernatants and confirmed using established binding affinity assays for purified antibodies. Our approach provides access to the dynamical features of the actual binding sites of an antibody, based solely on the antibody sequence. Thus we do not need structural data on the antibody-antigen complex and circumvent cumbersome methods to assess binding affinities. © 2016 The Authors Journal of Molecular Recognition Published by John Wiley & Sons Ltd.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.