Multi-Responsive Eight-State Bis(acridinium-Zn(II) porphyrin) Receptor Publications 2023 Multi-Responsive Eight-State Bis(acridinium-Zn(II) porphyrin) Receptor
Allosteric Modulation of GCase Enhances Lysosomal Activity and Reduces ER Stress in GCase-Related Disorders Publications 2023 Allosteric Modulation of GCase Enhances Lysosomal Activity and Reduces ER Stress in GCase-Related Disorders
Engineering excitonically coupled dimers in an artificial protein for light harvesting via computational modeling Publications 2023 Engineering excitonically coupled dimers in an artificial protein for light harvesting via computational modeling
Benchmarking DFT functionals for photophysics of pyranoflavylium cations Publications 2023 Benchmarking DFT functionals for photophysics of pyranoflavylium cations
QM / AMOEBA description of properties and dynamics of embedded molecules Publications 2023 QM / AMOEBA description of properties and dynamics of embedded molecules
Unraveling the role of thermal fluctuations on the exciton structure of the cryptophyte PC612 and PC645 photosynthetic antenna complexes Publications 2023 Unraveling the role of thermal fluctuations on the exciton structure of the cryptophyte PC612 and PC645 photosynthetic antenna complexes
Lenalidomide Stabilizes Protein–Protein Complexes by Turning Labile Intermolecular H-Bonds into Robust Interactions Publications 2023 Lenalidomide Stabilizes Protein–Protein Complexes by Turning Labile Intermolecular H-Bonds into Robust Interactions
Prediction of toluene/water partition coefficients in the SAMPL9 blind challenge: assessment of machine learning and IEF-PCM/MST continuum solvation models Publications 2023 Prediction of toluene/water partition coefficients in the SAMPL9 blind challenge: assessment of machine learning and IEF-PCM/MST continuum solvation models
Identification of novel 1,2,3-triazole isatin derivatives as potent SARS-CoV-2 3CLpro inhibitors via click-chemistry-based rapid screening Publications 2023 Identification of novel 1,2,3-triazole isatin derivatives as potent SARS-CoV-2 3CLpro inhibitors via click-chemistry-based rapid screening
In-vitro and in-silico studies of annelated 1,4,7,8-tetrahydroazocine ester derivatives as nanomolar selective inhibitors of human butyrylcholinesterase Publications 2023 In-vitro and in-silico studies of annelated 1,4,7,8-tetrahydroazocine ester derivatives as nanomolar selective inhibitors of human butyrylcholinesterase
