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References from Molecular dynamics simulation and QM/MM study of IscB-ωRNA complex. Local targets link to admitted publications; unresolved targets remain external evidence.
A programmable dual-RNA–guided DNA endonuclease in adaptive bacterial immunity
10.1126/science.1225829 · 2012 · External reference
Crystal structure of Cas9 in complex with guide RNA and target DNA
10.1016/j.cell.2014.02.001 · 2014 · External reference
Structures of a CRISPR-Cas9 R-loop complex primed for DNA cleavage
10.1126/science.aad8282 · 2016 · External reference
Conformational control of DNA target cleavage by CRISPR–Cas9
10.1038/nature15544 · 2015 · External reference
A conformational checkpoint between DNA binding and cleavage by CRISPR-Cas9
10.1126/sciadv.aao0027 · 2017 · External reference
The widespread IS200/IS605 transposon family encodes diverse programmable RNA-guided endonucleases
10.1126/science.abj6856 · 2021 · External reference
Structural basis for RNA-guided DNA cleavage by IscB-ωRNA and mechanistic comparison with Cas9
10.1126/science.abq7220 · 2022 · External reference
Assessing and engineering the IscB-ωRNA system for programmed genome editing
10.1038/s41589-024-01669-3 · 2024 · External reference
Engineered IscB-ωRNA system with expanded target range for base editing
10.1038/s41589-024-01706-1 · 2025 · External reference
Engineering IscB to develop highly efficient miniature editing tools in mammalian cells and embryos
10.1016/j.molcel.2024.07.007 · 2024 · External reference
Directed evolution of OgeuIscB with enhanced activity in human cells
10.1096/fj.202500082r · 2025 · External reference
Engineered IscB-ωRNA system with improved base editing efficiency for disease correction via single AAV delivery in mice
10.1016/j.celrep.2024.114973 · 2024 · External reference
Structural insight into IscB’s RNA-lid-based inactivation mechanism
10.1038/s41594-026-01761-3 · 2026 · External reference
Nucleases: Diversity of structure, function and mechanism
10.1017/s0033583510000181 · 2011 · External reference
Metal ions and phosphate binding in the H-N-H motif: Crystal structures of the nuclease domain of ColE7/Im7 in complex with a phosphate ion and different divalent metal ions
10.1110/ps.0220602 · 2002 · External reference
Coupled catalytic states and the role of metal coordination in Cas9
10.1038/s41929-023-01031-1 · 2023 · External reference
DNA unwinding is the primary determinant of CRISPR-Cas9 activity
10.1016/j.celrep.2017.12.041 · 2018 · External reference
Enzyme dynamics point to stepwise conformational selection in catalysis
10.1016/j.cbpa.2010.08.012 · 2010 · External reference
Emerging mechanisms of metal-catalyzed RNA and DNA modifications
10.1146/annurev-physchem-082423-030241 · 2025 · External reference
Zero-shot benchmarking of RNA language models in structural, functional, and evolutionary learning
10.1093/bib/bbag098 · 2026 · External reference
REMD simulations of conformational dynamics of disordered nuclear localization signal peptide of p53 protein
10.4310/cis.241021233322 · 2024 · External reference
CRISPR-Cas9 conformational activation as elucidated from enhanced molecular simulations
10.1073/pnas.1707645114 · 2017 · External reference
Dynamics and mechanisms of CRISPR-Cas9 through the lens of computational methods
10.1016/j.sbi.2022.102400 · 2022 · External reference
Allosteric motions of the CRISPR–Cas9 HNH nuclease probed by NMR and molecular dynamics
10.1021/jacs.9b10521 · 2020 · External reference
Artificial reaction coordinate ‘tunneling’ in free-energy calculations: The catalytic reaction of RNase H
10.1002/jcc.21312 · 2009 · External reference
Retinal isomerization and water-pore formation in channelrhodopsin-2
10.1073/pnas.1700091115 · 2018 · External reference
The Amber biomolecular simulation programs
10.1002/jcc.20290 · 2005 · External reference
CHARMM36m: An improved force field for folded and intrinsically disordered proteins
10.1038/nmeth.4067 · 2017 · External reference
Comparison of simple potential functions for simulating liquid water
10.1063/1.445869 · 1983 · External reference
UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
10.1021/ja00051a040 · 2002 · External reference
Principles of target DNA cleavage and the role of Mg2+ in the catalysis of CRISPR–Cas9
10.1038/s41929-022-00848-6 · 2022 · External reference
The ONIOM method: Its foundation and applications to metalloenzymes and photobiology
10.1002/wcms.85 · 2012 · External reference
Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints
10.1002/jcc.10156 · 2003 · External reference
Review on the QM/MM methodologies and their application to metalloproteins
10.3390/molecules27092660 · 2022 · External reference
Structure of the OMEGA nickase IsrB in complex with ωRNA and target DNA
10.1038/s41586-022-05324-6 · 2022 · External reference
