Area of research
Molecular Biology · Computational Theory and Mathematics
Research interest
Research interests include Protein Structure and Dynamics, Computational Drug Discovery Methods, Enzyme Structure and Function, and RNA and protein synthesis mechanisms.
Ligand interaction landscape of transcription factors and essential enzymes in E. coli
Modeling Protein–Protein and Protein–Ligand Interactions by the <scp>ClusPro</scp> Team in <scp>CASP16</scp>
E-FTMap: A Protein Structure Based Pharmacophore Identification Server for Guiding Fragment Expansion
Predicting multiple conformations of ligand binding sites in proteins suggests that AlphaFold2 may remember too much
Which cryptic sites are feasible drug targets?
Multiomic profiling of chronically activated CD4+ T cells identifies drivers of exhaustion and metabolic reprogramming
MHC-Fine: Fine-tuned AlphaFold for precise MHC-peptide complex prediction
Expanding FTMap for Fragment-Based Identification of Pharmacophore Regions in Ligand Binding Sites
Impact of <scp>AlphaFold</scp> on structure prediction of protein complexes: The <scp>CASP15‐CAPRI</scp> experiment
Critical Assessment of Methods for Predicting the 3D Structure of Proteins and Protein Complexes
High Accuracy Prediction of PROTAC Complex Structures
The ClusPro AbEMap web server for the prediction of antibody epitopes
Parallelized multidimensional analytic framework applied to mammary epithelial cells uncovers regulatory principles in EMT
Improved prediction of MHC-peptide binding using protein language models
Integrated metabolomics and proteomics reveal biomarkers associated with hemodialysis in end-stage kidney disease
Impact of AlphaFold on Structure Prediction of Protein Complexes: The CASP15-CAPRI Experiment
Elucidation of protein function using computational docking and hotspot analysis by <i>ClusPro</i> and <i>FTMap</i>
Protein folds vs. protein folding: Differing questions, different challenges
Scalable multiplex co-fractionation/mass spectrometry platform for accelerated protein interactome discovery
Mapping the binding sites of challenging drug targets
FTMove: A Web Server for Detection and Analysis of Cryptic and Allosteric Binding Sites by Mapping Multiple Protein Structures
Mapping of antibody epitopes based on docking and homology modeling
Conservation of Allosteric Ligand Binding Sites in G-Protein Coupled Receptors
Prediction of protein assemblies, the next frontier: The <scp>CASP14‐CAPRI</scp> experiment
Progress toward improved understanding of antibody maturation
Performance and Its Limits in Rigid Body Protein-Protein Docking
Actionable Cytopathogenic Host Responses of Human Alveolar Type 2 Cells to SARS-CoV-2
ClusPro in rounds 38 to 45 of CAPRI: Toward combining template‐based methods with free docking
Benchmark Sets for Binding Hot Spot Identification in Fragment-Based Ligand Discovery
Allostery in Its Many Disguises: From Theory to Applications