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Author Details

Sandor Vajda
Boston University
1982
191
57
Andrej Sali (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
36088633Mapping of antibody epitopes based on docking and homology modeling.Proteins2023
36088633Mapping of antibody epitopes based on docking and homology modeling.Proteins2023
37663788Improved prediction of MHC-peptide binding using protein language models.Front Bioinform2023
37905971Impact of AlphaFold on structure prediction of protein complexes: The CASP15-CAPRI experiment.Proteins2023
38077000MHC-Fine: Fine-tuned AlphaFold for Precise MHC-Peptide Complex Prediction.bioRxiv2023
37697630Accurate ligand-protein docking in CASP15 using the ClusPro LigTBM server.Proteins2023
36961978High Accuracy Prediction of PROTAC Complex Structures.J Am Chem Soc2023
36626764Critical Assessment of Methods for Predicting the 3D Structure of Proteins and Protein Complexes.Annu Rev Biophys2023
37188806The ClusPro AbEMap web server for the prediction of antibody epitopes.Nat Protoc2023
38077000MHC-Fine: Fine-tuned AlphaFold for Precise MHC-Peptide Complex Prediction.bioRxiv2023
37663788Improved prediction of MHC-peptide binding using protein language models.Front Bioinform2023
37905971Impact of AlphaFold on structure prediction of protein complexes: The CASP15-CAPRI experiment.Proteins2023
37697630Accurate ligand-protein docking in CASP15 using the ClusPro LigTBM server.Proteins2023
37188806The ClusPro AbEMap web server for the prediction of antibody epitopes.Nat Protoc2023
36961978High Accuracy Prediction of PROTAC Complex Structures.J Am Chem Soc2023
36626764Critical Assessment of Methods for Predicting the 3D Structure of Proteins and Protein Complexes.Annu Rev Biophys2023
34890135Side-chain Packing Using SE(3)-Transformer.Pac Symp Biocomput2022
35647916Elucidation of protein function using computational docking and hotspot analysis by ClusPro and FTMap.Acta Crystallogr D Struct Biol2022
35895844Use of Solvent Mapping for Characterizing the Binding Site and for Predicting the Inhibition of the Human Ether-á-Go-Go-Related K<sup>+</sup> Channel.Chem Res Toxicol2022
35636004Mapping the binding sites of challenging drug targets.Curr Opin Struct Biol2022
36136430Preclinical testing of dabigatran in trypsin-dependent pancreatitis.JCI Insight2022
36195573Conservation of Allosteric Ligand Binding Sites in G-Protein Coupled Receptors.J Chem Inf Model2022
35662465FTMove: A Web Server for Detection and Analysis of Cryptic and Allosteric Binding Sites by Mapping Multiple Protein Structures.J Mol Biol2022
36568682API Development Increases Access to Shared Computing Resources at Boston University.J Softw Eng Appl2022
36555104Novel p.G250A Mutation Associated with Chronic Pancreatitis Highlights Misfolding-Prone Region in Carboxypeptidase A1 (CPA1).Int J Mol Sci2022
34890135Side-chain Packing Using SE(3)-Transformer.Pac Symp Biocomput2022
35647916Elucidation of protein function using computational docking and hotspot analysis by ClusPro and FTMap.Acta Crystallogr D Struct Biol2022
35636004Mapping the binding sites of challenging drug targets.Curr Opin Struct Biol2022
35662465FTMove: A Web Server for Detection and Analysis of Cryptic and Allosteric Binding Sites by Mapping Multiple Protein Structures.J Mol Biol2022
36555104Novel p.G250A Mutation Associated with Chronic Pancreatitis Highlights Misfolding-Prone Region in Carboxypeptidase A1 (CPA1).Int J Mol Sci2022
36568682API Development Increases Access to Shared Computing Resources at Boston University.J Softw Eng Appl2022
36136430Preclinical testing of dabigatran in trypsin-dependent pancreatitis.JCI Insight2022
35895844Use of Solvent Mapping for Characterizing the Binding Site and for Predicting the Inhibition of the Human Ether-á-Go-Go-Related K<sup>+</sup> Channel.Chem Res Toxicol2022
36195573Conservation of Allosteric Ligand Binding Sites in G-Protein Coupled Receptors.J Chem Inf Model2022
34368994Assessing the binding properties of CASP14 targets and models.Proteins2021
34045440Exploring protein hotspots by optimized fragment pharmacophores.Nat Commun2021
33995918Improved cluster ranking in protein-protein docking using a regression approach.Comput Struct Biotechnol J2021
33610066Progress toward improved understanding of antibody maturation.Curr Opin Struct Biol2021
34025942Conservation of binding properties in protein models.Comput Struct Biotechnol J2021
34368994Assessing the binding properties of CASP14 targets and models.Proteins2021
33610066Progress toward improved understanding of antibody maturation.Curr Opin Struct Biol2021
34045440Exploring protein hotspots by optimized fragment pharmacophores.Nat Commun2021
33995918Improved cluster ranking in protein-protein docking using a regression approach.Comput Struct Biotechnol J2021
34025942Conservation of binding properties in protein models.Comput Struct Biotechnol J2021
32142178ClusPro in rounds 38 to 45 of CAPRI: Toward combining template-based methods with free docking.Proteins2020
32142178ClusPro in rounds 38 to 45 of CAPRI: Toward combining template-based methods with free docking.Proteins2020
31851823Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).Biochemistry2020
31891416Modeling beta-sheet peptide-protein interactions: Rosetta FlexPepDock in CAPRI rounds 38-45.Proteins2020
31863748ClusPro LigTBM: Automated Template-based Small Molecule Docking.J Mol Biol2020
31810712Structure-Based Analysis of Cryptic-Site Opening.Structure2020
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Stony Brook University
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Co-authored papers 47
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Co-authored papers 32
Charles DeLisi
Co-authored papers 17
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Co-authored papers 13
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University of Massachusetts Medical School
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Amgen Inc.
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Boston University
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VIB-VUB Center for Structural Biology
Co-authored papers 8
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The Second Affiliated Hospital of Nanchang University
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Bijvoet Center for Biomolecular Research, Utrecht University
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Ilya A Vakser
The University of Kansas
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David W Gatchell
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David W Ritchie
Universite de Lorraine, CNRS
Co-authored papers 5
Paul A Bates
The Francis Crick Institute
Co-authored papers 5
Daron M Standley
Osaka university
Co-authored papers 5
Juan Fern??ndez-Recio
Instituto de Ciencias de la Vid y del Vino (ICVV-CSIC)
Co-authored papers 5
Marc F Lensink
University Lille, CNRS
Co-authored papers 5
Rakefet Rosenfeld
Co-authored papers 5
Xiaoqin Zou
Dalton Cardiovascular Research Center, University of Missouri
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Brian Jim??nez-Garc??a
Utrecht University
Co-authored papers 5
Lingqi Luo
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Ora Schueler-Furman
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Release 1.2