ArticlePLoS computational biology2019
Experimentally guided computational antibody affinity maturation with de novo docking, modelling and rational design.
Article in PLoS computational biology, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 32 papers.
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Who cites it
32 citing papers in PubMed, 58 citations in OpenAlex.
- Affinity enhancement of an anti-VEGF humanized nanobody as a superior candidate to bevacizumab: integrative in silico and in vitro studies.BMC biotechnology · 2026Article
- Antibody Affinity Maturation by Computational Design.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Reprogramming the SARS-CoV-1 Neutralizing Antibody S230 to SARS-CoV-2 via Directed Evolution and Molecular Docking-Based Binding Mode Analysis.ACS synthetic biology · 2025Article
- Exploring Experimental and In Silico Approaches for Antibody-Drug Conjugates in Oncology Therapies.Pharmaceuticals (Basel, Switzerland) · 2025Review
- AI-driven antibody design with generative diffusion models: current insights and future directions.Acta pharmacologica Sinica · 2025Review
- From immune evasion to broadFrontiers in immunology · 2025Article
- Integrating Computational Design and Experimental Approaches for Next-Generation Biologics.Biomolecules · 2024Review
- Antibody Recognition of Human Epidermal Growth Factor Receptor-2 (HER2) Juxtamembrane Domain Enhances Anti-Tumor Response of Chimeric Antigen Receptor (CAR)-T Cells.Antibodies (Basel, Switzerland) · 2024Article
- A dual computational and experimental strategy to enhance TSLP antibody affinity for improved asthma treatment.PLoS computational biology · 2024Article
- An in silico investigation on the binding site preference of PD-1 and PD-L1 for designing antibodies for targeted cancer therapy.PloS one · 2024Article
- Enhancing antibody affinity through experimental sampling of non-deleterious CDR mutations predicted by machine learning.Communications chemistry · 2023Article
- The RESP AI model accelerates the identification of tight-binding antibodies.Nature communications · 2023Article
- Design of nanobody-based bispecific constructs byComputational and structural biotechnology journal · 2023Article
- Accelerating therapeutic protein design with computational approaches toward the clinical stage.Computational and structural biotechnology journal · 2023Review
- Unveiling the affinity-stability relationship in anti-measles virus antibodies: a computational approach for hotspots prediction.Frontiers in molecular biosciences · 2023Article
- Rational strategies for enhancing mAb binding to SARS-CoV-2 variants through CDR diversification and antibody-escape prediction.Frontiers in immunology · 2023Article
- Yeast Surface Display Platform for Rapid Selection of an Antibody Library via Sequential Counter Antigen Flow Cytometry.Antibodies (Basel, Switzerland) · 2022Article
- Prediction of the structural interface between fibroblast growth factor23 and Burosumab using alanine scanning and molecular docking.Scientific reports · 2022Article
- Article
- Functional antibody characterization via direct structural analysis and information-driven protein-protein docking.Proteins · 2022Article
Corrections and comments
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Authors and funding
12 authors at 2 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Antibodies are an important class of therapeutics that have significant clinical impact for the treatment of severe diseases. Computational tools to support antibody drug discovery have been developing at an increasing rate over the last decade and typically rely upon a predetermined co-crystal structure of the antibody bound to the antigen for structural predictions. Here, we show an example of successful in silico affinity maturation of a hybridoma derived antibody, AB1, using just a homology model of the antibody fragment variable region and a protein-protein docking model of the AB1 antibody bound to the antigen, murine CCL20 (muCCL20). In silico affinity maturation, together with alanine scanning, has allowed us to fine-tune the protein-protein docking model to subsequently enable the identification of two single-point mutations that increase the affinity of AB1 for muCCL20. To our knowledge, this is one of the first examples of the use of homology modelling and protein docking for affinity maturation and represents an approach that can be widely deployed.
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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.