Research graph
References from Modeling the Impact of Active Site Mutations on the Quenching Fate and Cyclization Depth of a Rare Oxidosqualene Cyclase. Local targets link to admitted publications; unresolved targets remain external evidence.
Enzymatic synthesis of cyclic triterpenes
10.1039/b616857b · 2007 · External reference
Diverse triterpene skeletons are derived from the expansion and divergent evolution of 2,3-oxidosqualene cyclases in plants
10.1080/10409238.2021.1979458 · 2022 · External reference
The protosteryl and dammarenyl cation dichotomy in polycyclic triterpene biosynthesis revisited: has this ‘rule’ finally been broken?
10.1039/c8np00096d · 2019 · External reference
Structural and Chemical Biology of Terpenoid Cyclases
10.1021/acs.chemrev.7b00287 · 2017 · External reference
Structure and Function of a Squalene Cyclase
10.1126/science.277.5333.1811 · 1997 · External reference
Chapter 1 Ginsenosides: Chemistry, Biosynthesis, Analysis, and Potential Health Effects
2008 · External reference
De Novo Biosynthesis of a Polyene-Type Ginsenoside Precursor Dammaradienol in Saccharomyces cerevisiae
10.1021/acssynbio.4c00396 · 2024 · External reference
Dammarenediol-II synthase, the first dedicated enzyme for ginsenoside biosynthesis, in Panax ginseng
10.1016/j.febslet.2006.08.044 · 2006 · External reference
Biosynthesis via carbocations: theoretical studies on terpene formation
10.1039/c1np00006c · 2011 · External reference
Discovering a uniform functional trade-off of the CBC-type 2,3-oxidosqualene cyclases and deciphering its chemical logic
10.1126/sciadv.adh1418 · 2023 · External reference
A conserved mechanism affecting hydride shifting and deprotonation in the synthesis of hopane triterpenes as compositions of wax in oat
10.1073/pnas.2118709119 · 2022 · External reference
Biosynthetic Mechanism of Lanosterol: A Completed Story
10.1021/acscatal.9b05221 · 2020 · External reference
Switching on a Nontraditional Enzymatic Base - Deprotonation by Serine in the ent-Kaurene Synthase from Bradyrhizobium japonicum
10.1021/acscatal.9b02783 · 2019 · External reference
Adjusting Catalytic Activity of β-Amyrin Synthase GgBAS by Utilizing the Plasticity Residues of an Active Site
10.1021/acs.jcim.4c00297 · 2024 · External reference
Accurate structure prediction of biomolecular interactions with AlphaFold 3
10.1038/s41586-024-07487-w · 2024 · External reference
Highly accurate protein structure prediction for the human proteome
10.1038/s41586-021-03828-1 · 2021 · External reference
AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
10.1002/jcc.21334 · 2010 · External reference
PyRosetta: a script-based interface for implementing molecular modeling algorithms using Rosetta
10.1093/bioinformatics/btq007 · 2010 · External reference
WebLogo: a sequence logo generator
10.1101/gr.849004 · 2004 · External reference
A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations
10.1002/jcc.10349 · 2003 · External reference
Comparison of simple potential functions for simulating liquid water
10.1063/1.445869 · 1983 · External reference
A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model
10.1021/j100142a004 · 1993 · External reference
Unresolved reference
2009 · External reference
The Amber biomolecular simulation programs
10.1002/jcc.20290 · 2005 · External reference
3rd, Parallelization of CPPTRAJ enables large scale analysis of molecular dynamics trajectory data
10.1002/jcc.25382 · 2018 · External reference
POVME 2.0: An Enhanced Tool for Determining Pocket Shape and Volume Characteristics
10.1021/ct500381c · 2014 · External reference
End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design
10.1021/acs.chemrev.9b00055 · 2019 · External reference
Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model Chemistries
10.1021/ct100326h · 2010 · External reference
Efficient Diffuse Basis Sets for Density Functional Theory
10.1021/ct900566x · 2010 · External reference
Advances in Methods and Algorithms in a Modern Quantum Chemistry Program Package.Advances in methods and algorithms in a modern quantum chemistry program package
10.1039/b517914a · 2006 · External reference
Tinker 8: Software Tools for Molecular Design
10.1021/acs.jctc.8b00529 · 2018 · External reference
Quantum Mechanical/Molecular Mechanical Study of Catalytic Mechanism and Role of Key Residues in Methylation Reactions Catalyzed by Dimethylxanthine Methyltransferase in Caffeine Biosynthesis
10.1021/ci400640v · 2014 · External reference
Identification of oxidosqualene cyclases associated with saponin biosynthesis from Astragalus membranaceus reveals a conserved motif important for catalytic function
10.1016/j.jare.2022.03.014 · 2023 · External reference
Squalene-hopene cyclases─evolution, dynamics and catalytic scope
10.1016/j.sbi.2016.05.019 · 2016 · External reference
Plant terpenoid biosynthetic network and its multiple layers of regulation
10.1016/j.plipres.2024.101287 · 2024 · External reference
Engineering amino acid residues of pentacyclic triterpene synthases for improving the activity
10.1007/s00253-024-13030-8 · 2024 · External reference
The key structure and self-stabilization mechanism of water-soluble interfacial squalene-hopene cyclase
10.1016/j.ijbiomac.2025.141340 · 2025 · External reference
The Importance of Additive and Non-Additive Mutational Effects in Protein Engineering
10.1002/anie.201207842 · 2013 · External reference
Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase
10.1021/acs.biochem.6b00343 · 2016 · External reference
The Importance of Additive and Non-Additive Mutational Effects in Protein Engineering
10.1002/anie.201207842 · ExternalCitation · doi-reference
A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations
10.1002/jcc.10349 · ExternalCitation · doi-reference
The Amber biomolecular simulation programs
10.1002/jcc.20290 · ExternalCitation · doi-reference
AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
10.1002/jcc.21334 · ExternalCitation · doi-reference
3rd, Parallelization of CPPTRAJ enables large scale analysis of molecular dynamics trajectory data
10.1002/jcc.25382 · ExternalCitation · doi-reference
Engineering amino acid residues of pentacyclic triterpene synthases for improving the activity
10.1007/s00253-024-13030-8 · ExternalCitation · doi-reference
Dammarenediol-II synthase, the first dedicated enzyme for ginsenoside biosynthesis, in Panax ginseng
10.1016/j.febslet.2006.08.044 · ExternalCitation · doi-reference
The key structure and self-stabilization mechanism of water-soluble interfacial squalene-hopene cyclase
10.1016/j.ijbiomac.2025.141340 · ExternalCitation · doi-reference
Identification of oxidosqualene cyclases associated with saponin biosynthesis from Astragalus membranaceus reveals a conserved motif important for catalytic function
10.1016/j.jare.2022.03.014 · ExternalCitation · doi-reference
Plant terpenoid biosynthetic network and its multiple layers of regulation
10.1016/j.plipres.2024.101287 · ExternalCitation · doi-reference
Squalene-hopene cyclases─evolution, dynamics and catalytic scope
10.1016/j.sbi.2016.05.019 · ExternalCitation · doi-reference
Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase
10.1021/acs.biochem.6b00343 · ExternalCitation · doi-reference
Structural and Chemical Biology of Terpenoid Cyclases
10.1021/acs.chemrev.7b00287 · ExternalCitation · doi-reference
End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design
10.1021/acs.chemrev.9b00055 · ExternalCitation · doi-reference
Adjusting Catalytic Activity of β-Amyrin Synthase GgBAS by Utilizing the Plasticity Residues of an Active Site
10.1021/acs.jcim.4c00297 · ExternalCitation · doi-reference
Tinker 8: Software Tools for Molecular Design
10.1021/acs.jctc.8b00529 · ExternalCitation · doi-reference
Switching on a Nontraditional Enzymatic Base - Deprotonation by Serine in the ent-Kaurene Synthase from Bradyrhizobium japonicum
10.1021/acscatal.9b02783 · ExternalCitation · doi-reference
Biosynthetic Mechanism of Lanosterol: A Completed Story
10.1021/acscatal.9b05221 · ExternalCitation · doi-reference
De Novo Biosynthesis of a Polyene-Type Ginsenoside Precursor Dammaradienol in Saccharomyces cerevisiae
10.1021/acssynbio.4c00396 · ExternalCitation · doi-reference
Quantum Mechanical/Molecular Mechanical Study of Catalytic Mechanism and Role of Key Residues in Methylation Reactions Catalyzed by Dimethylxanthine Methyltransferase in Caffeine Biosynthesis
10.1021/ci400640v · ExternalCitation · doi-reference
Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model Chemistries
10.1021/ct100326h · ExternalCitation · doi-reference
POVME 2.0: An Enhanced Tool for Determining Pocket Shape and Volume Characteristics
10.1021/ct500381c · ExternalCitation · doi-reference
Efficient Diffuse Basis Sets for Density Functional Theory
10.1021/ct900566x · ExternalCitation · doi-reference
A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model
10.1021/j100142a004 · ExternalCitation · doi-reference
Highly accurate protein structure prediction for the human proteome
10.1038/s41586-021-03828-1 · ExternalCitation · doi-reference
Accurate structure prediction of biomolecular interactions with AlphaFold 3
10.1038/s41586-024-07487-w · ExternalCitation · doi-reference
Advances in Methods and Algorithms in a Modern Quantum Chemistry Program Package.Advances in methods and algorithms in a modern quantum chemistry program package
10.1039/b517914a · ExternalCitation · doi-reference
Enzymatic synthesis of cyclic triterpenes
10.1039/b616857b · ExternalCitation · doi-reference
Biosynthesis via carbocations: theoretical studies on terpene formation
10.1039/c1np00006c · ExternalCitation · doi-reference
The protosteryl and dammarenyl cation dichotomy in polycyclic triterpene biosynthesis revisited: has this ‘rule’ finally been broken?
10.1039/c8np00096d · ExternalCitation · doi-reference
Comparison of simple potential functions for simulating liquid water
10.1063/1.445869 · ExternalCitation · doi-reference
A conserved mechanism affecting hydride shifting and deprotonation in the synthesis of hopane triterpenes as compositions of wax in oat
10.1073/pnas.2118709119 · ExternalCitation · doi-reference
Diverse triterpene skeletons are derived from the expansion and divergent evolution of 2,3-oxidosqualene cyclases in plants
10.1080/10409238.2021.1979458 · ExternalCitation · doi-reference
PyRosetta: a script-based interface for implementing molecular modeling algorithms using Rosetta
10.1093/bioinformatics/btq007 · ExternalCitation · doi-reference
WebLogo: a sequence logo generator
10.1101/gr.849004 · ExternalCitation · doi-reference
Discovering a uniform functional trade-off of the CBC-type 2,3-oxidosqualene cyclases and deciphering its chemical logic
10.1126/sciadv.adh1418 · ExternalCitation · doi-reference
Structure and Function of a Squalene Cyclase
10.1126/science.277.5333.1811 · ExternalCitation · doi-reference
