Epik: a software program for pK a prediction and protonation state generation for drug-like molecules

• Design, Synthesis, and In Vitro Characterization of a Tryptamine-Based Visible-Light Photoswitchable 5-HT 2A R Ligand Showing Efficacy Preference for β-Arrestin over Mini-Gq

  2025 Journal of Medicinal Chemistry article Materials Science Photochromic and Fluorescence Chemistry Open access

  5

  citations
• Influence of ionic liquids on enzymatic asymmetric carboligations

  2025 bioRxiv (Cold Spring Harbor Laboratory) preprint Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization Open access

  0

  citations
• Influence of ionic liquids on enzymatic asymmetric carboligations

  2025 Computational and Structural Biotechnology Journal article Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization Open access

  0

  citations
• Low Molecular Weight Inhibitors Targeting the RNA-Binding Protein HuR

  2023 International Journal of Molecular Sciences article Biochemistry, Genetics and Molecular Biology RNA Research and Splicing Open access

  10

  citations
• Low Molecular Weight Inhibitors Targeting the RNA-Binding Protein HuR

  2023 Preprints.org preprint Computer Science Computational Drug Discovery Methods Open access

  2

  citations
• Loading and co-solvent-triggered release of okanin, a C4 plant key enzyme inhibitor, into/from functional microgels

  2023 Chemical Engineering Journal article Engineering Polymer-Based Agricultural Enhancements Open access

  4

  citations
• Loading and Co-Solvent-Triggered Release of Okanin into/from Functional Microgels for Potential Plant Protection

  2022 ChemRxiv preprint Engineering Polymer-Based Agricultural Enhancements Open access

  0

  citations
• Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L

  2021 International Journal of Molecular Sciences article Medicine SARS-CoV-2 and COVID-19 Research Open access

  91

  citations
• Aqueous ionic liquids redistribute local enzyme stability via long-range perturbation pathways

  2021 Computational and Structural Biotechnology Journal article Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization Open access

  21

  citations
• A blueprint for high affinity SARS-CoV-2 Mpro inhibitors from activity-based compound library screening guided by analysis of protein dynamics

  2020 bioRxiv (Cold Spring Harbor Laboratory) preprint Computer Science Computational Drug Discovery Methods Open access

  5

  citations

10 results