Jure Borišek

Recent publications by Jure Borišek

1. Synthesizability via reward engineering: expanding generative molecular design into synthetic spaceChemical Science · Thu,
2. Monovalent ions aid catalysis of two-metal-ion dependent RNA editorsCoordination Chemistry Reviews · Wed,
3. Current Status of Molecular Dynamics Simulations of Membrane Permeabilization by Antimicrobial Peptides and Pore-Forming Proteins: A ReviewJournal of Chemical Information and Modeling · Mon,
4. Water-Based Pharmacophore Modeling in Kinase Inhibitor Design: A Case Study on Fyn and Lyn Protein KinasesJournal of Chemical Information and Modeling · Sun,
5. All-Atom Simulations Reveal the Effect of Membrane Composition on the Signaling of the NKG2A/CD94/HLA-E Immune Receptor ComplexJournal of Chemical Information and Modeling · Mon,
6. Computational study of the HLTF ATPase remodeling domain suggests its activity on dsDNA and implications in damage toleranceJournal of Structural Biology · Sat,
7. Third Metal Ion Dictates the Catalytic Activity of the Two‐Metal‐Ion Pre‐Ribosomal RNA‐Processing MachineryAngewandte Chemie International Edition · Fri,
8. Third Metal Ion Dictates the Catalytic Activity of the Two‐Metal‐Ion Pre‐Ribosomal RNA‐Processing MachineryAngewandte Chemie · Fri,
9. Machine learning heralding a new development phase in molecular dynamics simulationsArtificial Intelligence Review · Fri,
10. All-Atom Simulations Reveal the Intricacies of Signal Transduction upon Binding of the HLA-E Ligand to the Transmembrane Inhibitory CD94/NKG2A ReceptorJournal of Chemical Information and Modeling · Fri,