Sándor Vajda

Boston University — United States

Biochemistry, Genetics and Molecular Biology · Life Sciences

70h-index23.1kcitations311works6.12yr avg
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Research Topics

Protein Structure and Dynamics(133), Computational Drug Discovery Methods(83), Enzyme Structure and Function(75), RNA and protein synthesis mechanisms(30), Monoclonal and Polyclonal Antibodies Research(26)

Publications311 total

CDR-aware masked language models for paired antibodies enable state-of-the-art binding prediction
2025· 1 citedOpen Access
Modeling Protein–Protein and Protein–Ligand Interactions by the ClusPro Team in CASP16
UNC Libraries·2025Open Access
Modeling Protein–Protein and Protein–Ligand Interactions by the <scp>ClusPro</scp> Team in <scp>CASP16</scp>
Proteins Structure Function and Bioinformatics·2025· 3 citedOpen Access
Improving B-cell epitope prediction
Drug Discovery Today·2025Open Access
Impact of Protein Conformational Diversity on Structure-Based Prediction of Druggability
Journal of Chemical Information and Modeling·2025
Ligand interaction landscape of transcription factors and essential enzymes in E. coli
Cell·2025· 10 cited
E-FTMap: A Protein Structure Based Pharmacophore Identification Server for Guiding Fragment Expansion
Journal of Molecular Biology·2025· 3 citedOpen Access
Misfolding PRSS1 variant p.Ala61Val in a case of suspected intrauterine pancreatitis
Pancreatology·2024· 1 citedOpen Access
Predicting multiple conformations of ligand binding sites in proteins suggests that AlphaFold2 may remember too much
Proceedings of the National Academy of Sciences·2024· 21 citedOpen Access
Identification and Ranking of Binding Sites from Structural Ensembles: Application to SARS-CoV-2
Viruses·2024· 3 citedOpen Access
Which cryptic sites are feasible drug targets?
Drug Discovery Today·2024· 14 citedOpen Access
MHC-Fine: Fine-tuned AlphaFold for precise MHC-peptide complex prediction
Biophysical Journal·2024· 14 citedOpen Access
Expanding FTMap for Fragment-Based Identification of Pharmacophore Regions in Ligand Binding Sites
Journal of Chemical Information and Modeling·2024· 11 citedOpen Access
Phospho-Tune: Enhanced Structural Modeling of Phosphorylated Protein Interactions
2024· 7 citedOpen Access
Conservation of Hot Spots and Ligand Binding Sites in Protein Models by AlphaFold2
Journal of Chemical Information and Modeling·2024· 3 citedOpen Access
MHC-Fine: Fine-tuned AlphaFold for Precise MHC-Peptide Complex Prediction
2023· 9 citedOpen Access
Impact of <scp>AlphaFold</scp> on structure prediction of protein complexes: The <scp>CASP15‐CAPRI</scp> experiment
Proteins Structure Function and Bioinformatics·2023· 79 citedOpen Access
The anti-coagulant dabigatran inhibits trypsin and has therapeutic activity in trypsin-dependent pancreatitis
Pancreatology·2023
Accurate ligand–protein docking in <scp>CASP15</scp> using the <scp>ClusPro LigTBM</scp> server
Proteins Structure Function and Bioinformatics·2023· 6 citedOpen Access
Improved prediction of MHC-peptide binding using protein language models
Frontiers in Bioinformatics·2023· 15 citedOpen Access
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Frequent Co-authors

Dima Kozakov(26), Dmitri Beglov(15), David R. Hall(11), Carlos J. Camacho(10), Ryan Brenke(6), Stephen R. Comeau(6), Adrian Whitty(6), Tanggis Bohnuud(5), Kathryn A. Porter(4), Scott E. Mottarella(4), David Hall(4), Ilya A. Vakser(4), Israel Desta(4), Gwo‐Yu Chuang(4), Yang Shen(4), Zhiping Weng(4), Charles DeLisi(4), Dzmitry Padhorny(3), David Gatchell(3), Bing Xia(3)