Computational approaches to therapeutic antibody design: established methods and emerging trends

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Items 101–200 of 221

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5. Molecular Dynamics Methods for Antibody Design
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6. Editorial: Progress and challenges in computational structure-based design and development of biologic drugs
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7. 50 Years of Antibody Numbering Schemes: A Statistical and Structural Evaluation Reveals Key Differences and Limitations
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8. In silico decrypting of the bystander effect in antibody–drug conjugates for breast cancer therapy
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11. Bioengineering and computational analysis of programmed cell death ligand-1 monoclonal antibody
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12. In silico Techniques for Prospecting and Characterizing Monoclonal Antibodies
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14. Nanobody-as versatile tool emerging in autoimmune diseases
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15. Redesigning an antibody H3 loop by virtual screening of a small library of human germline-derived sequences
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16. In silico analysis of SARS-CoV-2 spike glycoprotein and insights into antibody binding
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17. Selected abstracts of Bioinformatics: from Algorithms to Applications 2021 Conference
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18. Reimagining computational macromolecular modeling: AI-driven approaches
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20. Language model-accelerated deep symbolic optimization
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21. NABP-BERT: NANOBODY®-antigen binding prediction based on bidirectional encoder representations from transformers (BERT) architecture
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22. Zepyros: a webserver to evaluate the shape complementarity of protein–protein interfaces
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24. Homology Modeling of Antibody Variable Regions: Methods and Applications
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25. An optimized thermodynamics integration protocol for identifying beneficial mutations in antibody design
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26. NAStructuralDB : Structural database to facilitate computational studies of molecular modeling and recognition of proteins with special focus on antibody-antigen interactions
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28. NABP-LSTM-Att: Nanobody–Antigen binding prediction using bidirectional LSTM and soft attention mechanism
    Fatma S. Ahmed, Saleh Aly, Mohamed A.M. El-Tabakh, Xiangrong Liu · 2025 · Computational Biology and Chemistry
29. NAStructuralDB : structural database to facilitate computational studies of molecular modeling and recognition of proteins with special focus on antibody–antigen interactions
    Chomicz, Dawid, Dudzic, Paweł, Wrobel, Sonia, Gawlowski, Tomasz, Demharter, Samuel, Spreafico, Roberto, Minoux, Hervé, Phillips, Andrew, Krawczyk, Konrad · 2026 · mAbs
30. DeepRank-Ab: a scoring function for antibody-antigen complexes based on geometric deep learning
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31. Nanobody screening and machine learning guided identification of cross-variant anti-SARS-CoV-2 neutralizing heavy-chain only antibodies
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32. Computational Modelling for Formulation Design
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33. Combining computational modeling and experimental library screening to affinity‐mature VEEV ‐neutralizing antibody F5
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36. Biophysical Analysis of Therapeutic Antibodies in the Early Development Pipeline
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37. Navigating the landscape: A comprehensive overview of computational approaches in therapeutic antibody design and analysis
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38. Optimizing the breadth of SARS-CoV-2-neutralizing antibodies in vivo and in silico
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39. Enhancing polyreactivity prediction of preclinical antibodies through fine-tuned protein language models
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40. Isolation of neutralizing antibodies against SARS-CoV-2 through an epitope-guided negative screening by phage display
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41. A review on recent synthetic routes and computational approaches for antibody drug conjugation developments used in anti-cancer therapy
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42. Bispecific Antibody Detection Using Antigen-Conjugated Synthetic Nucleic Acid Strands
    Davide Mariottini, Sara Bracaglia, Luca Maria Barbero, Sebastian W. Fuchs, Christoph Saal, S. Moniot, Christine Knuehl, Lorena Baranda Pellejero, Simona Ranallo, Francesco Ricci · 2023 · ACS Sensors
43. Biophysics of SARS-CoV-2 spike protein’s receptor-binding domain interaction with ACE2 and neutralizing antibodies: from computation to functional insights
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44. HAIRpred : Prediction of human antibody interacting residues in an antigen from its primary structure
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45. Reconstruction of full antibody sequences in NGS datasets and accurate V L :V H coupling by cluster coordinate matching of non-overlapping reads
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46. In silico design and expression of anti-E1E2 CHIKV scFv in biotinylated form using Escherichia coli Origami B (DE3) for immunochromatographic detection of the Indonesian Chikungunya variant
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47. Antibody designing against IIIabc junction (JIIIabc) of HCV IRES through affinity maturation; RNA-Antibody docking and interaction analysis
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48. Multiple Myeloma: Therapeutic Delivery of Antibodies and Aptamers
    Neret Pujol-Navarro, Mohammed M. Al Qaraghuli, Karina Kubiak-Ossowska, Manal Alsaadi, Gillian Abigail Horne, Richard L Soutar, Elpiniki Paspali, Valerie Anne Ferro, Mark Thomas Shaw Williams, Paul Alexander Mulheran · 2021 · Therapeutic Delivery
49. Optimizing Antibody–Antigen Binding Affinities with the ADAPT Platform
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50. Joined at the hip: The role of light chain complementarity determining region 2 in antibody self-association
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51. Structural Considerations in Affinity Maturation of Antibody-Based Biotherapeutic Candidates
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52. Learning from B Cell Evolution: Adaptive Multi-Expert Diffusion for Antibody Design via Online Optimization
    Hanqi Feng, Peng Qiu, Meng-Chun Zhang, Yiran Tao, You Fan, Jingtao Xu, Barnabás Póczos · 2025 · bioRxiv (Cold Spring Harbor Laboratory)
53. Therapeutic antibodies against cancer—A step toward the treatment
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54. Seq2scFv: a toolkit for the comprehensive analysis of display libraries from long-read sequencing platforms
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55. Computer‐Aided Technology for Bioactive Protein Design and Clinical Application
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57. Host cell protein impurities in therapeutic proteins: overview of advances in detection, nonconventional removal technologies and immunogenicity assessment
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60. Structure-Based Optimization of Antibody-Based Biotherapeutics for Improved Developability: A Practical Guide for Molecular Modelers
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61. Preparation of Chromobodies for the Detection of Cell Surface Epitopes
    Ugne Baronaite, Élise Cachat · 2012 · Methods in molecular biology
62. Improvement of Key Characteristics of Antibodies
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63. Sequence-Based Prediction of Ph-Dependent Protein Solubility Using Camsol
    Marc Oeller, Ryan J. D. Kang, Rosie Bell, Hannes Ausserwӧger, Pietro Sormanni, Michele Vendruscolo · 2022 · SSRN Electronic Journal
64. A Large Language Model Guides the Affinity Maturation of Variant Antibodies Generated by Combinatorial Optimization
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65. Predicting the Effects of Charge Mutations on the Second Osmotic Virial Coefficient for Therapeutic Antibodies via Coarse-Grained Molecular Simulations and Deep Learning Methods
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66. Immunological Strategies for Enhancing Viral Neutralization and Protection in Antibody-Guided Vaccine Design
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76. Frontiers and Structural Transformations of the Global Pharmaceutical Market
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77. Research Progress on Antibody Drug Development under the Guidance of Artificial Intelligence
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78. Homo-Tag-Assembler Assay for Full-Length Antibody Sequencing
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79. Artificial intelligence in antibody design and development: harnessing the power of computational approaches
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80. A protocol for information-driven antibody-antigen modelling with the HADDOCK2.4 webserver
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81. Computational Analysis of Antibody Binding Mechanisms to the Omicron RBD of SARS-CoV-2 Spike Protein: Identification of Epitopes and Hotspots for Developing Effective Therapeutic Strategies
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86. Computational design of therapeutic monoclonal antibody formulations
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