Latest publications

SQM2.20: Semiempirical quantum-mechanical scoring function yields DFT-quality protein–ligand binding affinity predictions in minutes
Nature Communications 15: 1127 (2024)
Structural insights into the interaction between adenovirus C5 hexon and human lactoferrin
Journal of Virology 98 (3): e01576–23 (2024)
Real-time Imaging of Nascent DNA in Live Cells by Monitoring the Fluorescence Lifetime of DNA-Incorporated Thiazole Orange-Modified Nucleotides
Angewandte Chemie International Edition 62 (38): e202307548 (2023)
Powerful Avidity with a Limited Valency for Virus-Attachment Blockers on DC-SIGN: Combining Chelation and Statistical Rebinding with Structural Plasticity of the Receptor
ACS Central Science 9 (4): 709–718 (2023)