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Prospective Evaluation of Structure-Based Simulations Reveal Their Ability to Predict the Impact of Kinase Mutations on Inhibitor Binding2025 The Journal of Physical Chemistry B article Computer Science Computational Drug Discovery Methods Open access
Sukrit Singh, Vytautas Gapsys, Matteo Aldeghi, David Schaller, Aziz M. Rangwala, Jessica B. White, +10 more
15citations -
Prospective evaluation of structure-based simulations reveal their ability to predict the impact of kinase mutations on inhibitor binding2024 bioRxiv (Cold Spring Harbor Laboratory) preprint Computer Science Computational Drug Discovery Methods Open access
Sukrit Singh, Vytautas Gapsys, Matteo Aldeghi, David Schaller, Aziz M. Rangwala, Jessica B. White, +10 more
3citations -
Accurate Prediction of GPCR Ligand Binding Affinity with Free Energy Perturbation2020 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods cited by 4 patents
Francesca Deflorian, Laura Pérez‐Benito, Eelke Bart Lenselink, Miles Congreve, Herman van Vlijmen, Jonathan S. Mason, +2 more
88citations -
Identification of HLA-E Binding Mycobacterium tuberculosis–Derived Epitopes through Improved Prediction Models2022 The Journal of Immunology article Biochemistry, Genetics and Molecular Biology vaccines and immunoinformatics approaches Open access
Paula Ruibal, Kees L. M. C. Franken, Krista E. van Meijgaarden, Marjolein van Wolfswinkel, Ian Derksen, Ferenc A. Scheeren, +11 more
21citations -
SARS-CoV-2 binding and neutralizing antibody levels after vaccination with Ad26.COV2.S predict durable protection in rhesus macaques2021 bioRxiv (Cold Spring Harbor Laboratory) preprint Medicine SARS-CoV-2 and COVID-19 Research Open access
Ramon Roozendaal, Laura Solforosi, Daniel J Stieh, Jan Serroyen, Roel Straetemans, Frank Wegmann, +16 more
7citations -
Concanavalin A staining: a potential biomarker to predict cytarabine sensitivity in acute myeloid leukemia2024 Frontiers in Hematology article Biochemistry, Genetics and Molecular Biology Glycosylation and Glycoproteins Research Open access
Tao Zhang, Glenn Marsman, Diego A. Pereira‐Martins, Manfred Wuhrer, Gerwin A. Huls, Valerie R. Wiersma
1citations -
Navigating the complexities of docking tools with nicotinic receptors and acetylcholine binding proteins in the realm of neonicotinoids2024 Ecotoxicology and Environmental Safety article Computer Science Computational Drug Discovery Methods Open access
Zakaria Bouchouireb, Damien Olivier‐Jimenez, Titouan Jaunet‐Lahary, Steeve Hervé Thany, Jean‐Yves Le Questel
14citations -
Identification of Amino Acid Residues, Distal to the Peptide‐Binding Domain, That Confer Serological Distinctions Within Each HLA‐DQB1*02 , *03 , *05 and *06 Antigen Group2026 HLA article Biochemistry, Genetics and Molecular Biology vaccines and immunoinformatics approaches
Shi‐Yuan Meng, Ujjwala Singh, Naiiry Petrosyan, Fred Quiroz, Xiaoliang Yao, Than Than Han, +12 more
0citations -
PMIpred: a physics-informed web server for quantitative protein–membrane interaction prediction2024 Bioinformatics article Biochemistry, Genetics and Molecular Biology Machine Learning in Bioinformatics Open access
Niek van Hilten, Nino Verwei, Jeroen Methorst, Carsten Nase, Andrius Bernatavicius, Herre Jelger Risselada
41citations -
Accurate prediction of HLA class II antigen presentation across all loci using tailored data acquisition and refined machine learning2023 Science Advances article Biochemistry, Genetics and Molecular Biology vaccines and immunoinformatics approaches Open access
Jonas Birkelund Nilsson, Saghar Kaabinejadian, Hooman Yari, Michel G.D. Kester, Peter van Balen, William H. Hildebrand, +1 more
170citations -
Prediction and identification of point defect fingerprints in X-ray photoelectron spectra of TiN$_x$ with 1.18 $\le x \le$ 1.372024 arXiv (Cornell University) preprint Materials Science Electron and X-Ray Spectroscopy Techniques Open access
Pavel Ondračka, Pauline Kümmerl, Marcus Hans, Stanislav Mráz, Daniel Primetzhofer, David Holec, +2 more
0citations -
Robust principal component analysis‐based prediction of protein‐protein interaction hot spots2021 Proteins Structure Function and Bioinformatics article Biochemistry, Genetics and Molecular Biology Machine Learning in Bioinformatics Open access
Divya Sitani, Alejandro Giorgetti, Mercedes Alfonso‐Prieto, Paolo Carloni
17citations -
Identification and validation of expressed HLA-binding breast cancer neoepitopes for potential use in individualized cancer therapy2021 Journal for ImmunoTherapy of Cancer article Immunology and Microbiology Immunotherapy and Immune Responses Open access
Hannah Reimann, Andrew Nguyen, Zack Sanborn, Charles Joseph Vaske, Stephen Charles Benz, Kayvan Niazi, +17 more
15citations -
Expediting hit-to-lead progression in drug discovery through reaction prediction and multi-dimensional optimization2025 Nature Communications article Computer Science Computational Drug Discovery Methods Open access
David F. Nippa, Kenneth Atz, Yannick Stenzhorn, Alex T. Müller, Andreas Tosstorff, Jörg Benz, +17 more
9citations -
The TNFα-binding domain of the therapeutic antibody adalimumab elicits CD4 T-cell responses in rheumatoid arthritis patients2025 Frontiers in Immunology article Biochemistry, Genetics and Molecular Biology vaccines and immunoinformatics approaches Open access
Mateusz Makuch, Josine van Beek, Carla Ann Wijbrandts, Marja Aalbers, Philippe Stas, Alexander B. Meijer, +7 more
3citations -
Clinical Utility of Structural Blood-Based Biomarkers in Pediatric Traumatic Brain Injury: A Focused Review of Glial Fibrillary Acidic Protein, Ubiquitin C-Terminal Hydrolase L1, and S100 Calcium-Binding Protein B2026 Pediatric Neurology article Medicine Traumatic Brain Injury and Neurovascular Disturbances Open access
Allen Ye Fu, Mahmoud M. Elguindy, Angela M. Tang-Tan, David J. Caldwell, Vijay Letchuman, Christine J. Gotthardt, +10 more
0citations