-
1
-
-
33748601470
-
Structural biology and chemistry of terpenoid cyclases
-
Christianson, D. W. Structural biology and chemistry of terpenoid cyclases. Chem. Rev. 106, 3412-3442 (2006).
-
(2006)
Chem. Rev.
, vol.106
, pp. 3412-3442
-
-
Christianson, D.W.1
-
2
-
-
0001836628
-
Cyclization enzymes in the biosynthesis of monoterpenes, sesquiterpenes, and diterpenes
-
Davis, E. M. & Croteau, R. Cyclization enzymes in the biosynthesis of monoterpenes, sesquiterpenes, and diterpenes. Top. Curr. Chem. 209, 53-95 (2000).
-
(2000)
Top. Curr. Chem.
, vol.209
, pp. 53-95
-
-
Davis, E.M.1
Croteau, R.2
-
3
-
-
0000558630
-
Enzymatic formation of sesquiterpenes
-
Cane, D. E. Enzymatic formation of sesquiterpenes. Chem. Rev. 90, 1089-1103 (1990).
-
(1990)
Chem. Rev.
, vol.90
, pp. 1089-1103
-
-
Cane, D.E.1
-
4
-
-
43049107992
-
Unearthing the roots of the terpenome
-
Christianson, D. W. Unearthing the roots of the terpenome. Curr. Opin. Chem. Biol. 12, 141-150 (2008).
-
(2008)
Curr. Opin. Chem. Biol.
, vol.12
, pp. 141-150
-
-
Christianson, D.W.1
-
5
-
-
67650546952
-
Consequences of conformational preorganization in sesquiterpene biosynthesis: Theoretical studies on the formation of the bisabolene, curcumene, acoradiene, zizaene, cedrene, duprezianene, and sesquithuriferol sesquiterpenes
-
Hong, Y. J. & Tantillo, D. J. Consequences of conformational preorganization in sesquiterpene biosynthesis: theoretical studies on the formation of the bisabolene, curcumene, acoradiene, zizaene, cedrene, duprezianene, and sesquithuriferol sesquiterpenes. J. Am. Chem. Soc. 131, 7999-8015 (2009).
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 7999-8015
-
-
Hong, Y.J.1
Tantillo, D.J.2
-
6
-
-
58149142845
-
Prediction of a new pathway to presilphiperfolanol
-
Wang, S. C. & Tantillo, D. J. Prediction of a new pathway to presilphiperfolanol. Org. Lett. 10, 4827-4830 (2008).
-
(2008)
Org. Lett.
, vol.10
, pp. 4827-4830
-
-
Wang, S.C.1
Tantillo, D.J.2
-
7
-
-
51549118248
-
Computational studies on biosynthetic carbocation rearrangements leading to sativene, cyclosativene, a-ylangene, and b-ylangene
-
Lodewyk, M. W., Gutta, P. & Tantillo, D. J. Computational studies on biosynthetic carbocation rearrangements leading to sativene, cyclosativene, a-ylangene, and b-ylangene. J. Org. Chem. 73, 6570-6579 (2008).
-
(2008)
J. Org. Chem.
, vol.73
, pp. 6570-6579
-
-
Lodewyk, M.W.1
Gutta, P.2
Tantillo, D.J.3
-
8
-
-
46949089268
-
Recent excursions to the lands between concerted and stepwise: From natural products biosynthesis to reaction design
-
Tantillo, D. J. Recent excursions to the lands between concerted and stepwise: from natural products biosynthesis to reaction design. J. Phys. Org. Chem. 21, 561-570 (2008).
-
(2008)
J. Phys. Org. Chem.
, vol.21
, pp. 561-570
-
-
Tantillo, D.J.1
-
9
-
-
33947673565
-
A promiscuous proton in taxadiene biosynthesis?
-
Gutta, P. & Tantillo, D. J. A promiscuous proton in taxadiene biosynthesis? Org. Lett. 9, 1069-1071 (2007).
-
(2007)
Org. Lett.
, vol.9
, pp. 1069-1071
-
-
Gutta, P.1
Tantillo, D.J.2
-
10
-
-
33750070656
-
Which is more likely in trichodiene biosynthesis: Hydride or proton transfer?
-
Hong, Y. J. & Tantillo, D. J. Which is more likely in trichodiene biosynthesis: hydride or proton transfer? Org. Lett. 8, 4601-4604 (2006).
-
(2006)
Org. Lett.
, vol.8
, pp. 4601-4604
-
-
Hong, Y.J.1
Tantillo, D.J.2
-
11
-
-
33646525410
-
Theoretical studies of farnesyl cation cyclization: Pathways to pentalenene
-
Gutta, P. & Tantillo, D. J. Theoretical studies of farnesyl cation cyclization: pathways to pentalenene. J. Am. Chem. Soc. 128, 6172-6179 (2006).
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 6172-6179
-
-
Gutta, P.1
Tantillo, D.J.2
-
12
-
-
33646351072
-
Nonclassical carbocations as C-H hydrogen bond donors
-
Bojin, M. D. & Tantillo, D. J. Nonclassical carbocations as C-H hydrogen bond donors. J. Phys. Chem. A 110, 4810-4816 (2006).
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 4810-4816
-
-
Bojin, M.D.1
Tantillo, D.J.2
-
13
-
-
55549098582
-
Control elements in dynamically determined selectivity on a bifurcating surface
-
Thomas, J. B., Waas, J. R., Harmata, M. & Singleton, D. A. Control elements in dynamically determined selectivity on a bifurcating surface. J. Am. Chem. Soc. 130, 14544-14555 (2008).
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 14544-14555
-
-
Thomas, J.B.1
Waas, J.R.2
Harmata, M.3
Singleton, D.A.4
-
14
-
-
54749103800
-
Bifurcations on potential energy surfaces of organic reactions
-
Ess, D. H. et al. Bifurcations on potential energy surfaces of organic reactions. Angew. Chem. Int. Ed. 47, 7592-7601 (2008).
-
(2008)
Angew. Chem. Int. Ed.
, vol.47
, pp. 7592-7601
-
-
Ess, D.H.1
-
15
-
-
0037134862
-
Mechanism of abietadiene synthase catalysis: Stereochemistry and stabilization of the cryptic pimarenyl carbocation intermediates
-
Ravn, M. M., Peters, R. J., Coates, R. M. & Croteau, R. Mechanism of abietadiene synthase catalysis: stereochemistry and stabilization of the cryptic pimarenyl carbocation intermediates. J. Am. Chem. Soc. 124, 6998-7006 (2002).
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 6998-7006
-
-
Ravn, M.M.1
Peters, R.J.2
Coates, R.M.3
Croteau, R.4
-
16
-
-
0002406029
-
Stereospecific intramolecular proton transfer in the cyclization of geranylgeranyl diphosphate to (-)-abietadiene catalyzed by recombinant cyclase from grand fir (Abies grandis)
-
Ravn, M. M., Coates, R. M., Jetter, R. & Croteau, R. B. Stereospecific intramolecular proton transfer in the cyclization of geranylgeranyl diphosphate to (-)-abietadiene catalyzed by recombinant cyclase from grand fir (Abies grandis). Chem. Commun. 21-22 (1998).
-
(1998)
Chem. Commun.
, pp. 21-22
-
-
Ravn, M.M.1
Coates, R.M.2
Jetter, R.3
Croteau, R.B.4
-
17
-
-
0034624597
-
Stereochemistry of the cyclization rearrangement of -copalyl diphosphate to (-)-abietadiene catalyzed by recombinant abietadiene synthase from Abies grandis
-
Ravn, M. M., Coates, R. M., Flory, J. E., Peters, R. J. & Croteau, R. Stereochemistry of the cyclization rearrangement of -copalyl diphosphate to (-)-abietadiene catalyzed by recombinant abietadiene synthase from Abies grandis. Org. Lett. 2, 573-576 (2000).
-
(2000)
Org. Lett.
, vol.2
, pp. 573-576
-
-
Ravn, M.M.1
Coates, R.M.2
Flory, J.E.3
Peters, R.J.4
Croteau, R.5
-
18
-
-
37549036742
-
A single residue switch converts abietadiene synthase into a pimaradiene specific cyclase
-
Wilderman, P. R. & Peters, R. J. A single residue switch converts abietadiene synthase into a pimaradiene specific cyclase. J. Am. Chem. Soc. 129, 15736-15737 (2007).
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 15736-15737
-
-
Wilderman, P.R.1
Peters, R.J.2
-
19
-
-
33751044609
-
The path of chemical reactions - The IRC approach
-
Fukui, K. The path of chemical reactions - the IRC approach. Acc. Chem. Res. 14, 363-368 (1981).
-
(1981)
Acc. Chem. Res.
, vol.14
, pp. 363-368
-
-
Fukui, K.1
-
20
-
-
33750614386
-
Reaction path following in mass-weighted internal coordinates
-
Gonzalez, C. & Schlegel, H. B. Reaction path following in mass-weighted internal coordinates. J. Phys. Chem. 94, 5523-5527 (1990).
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 5523-5527
-
-
Gonzalez, C.1
Schlegel, H.B.2
-
21
-
-
33646495552
-
Hiscotropic rearrangements: Hybrids of electrocyclic and sigmatropic reactions
-
Nouri, D. H. & Tantillo, D. J. Hiscotropic rearrangements: hybrids of electrocyclic and sigmatropic reactions. J. Org. Chem. 71, 3686-3695 (2006).
-
(2006)
J. Org. Chem.
, vol.71
, pp. 3686-3695
-
-
Nouri, D.H.1
Tantillo, D.J.2
-
22
-
-
0034523479
-
Intramolecular proton transfer in the cyclization of geranylgeranyl diphosphate to the taxadiene precursor of taxol catalyzed by recombinant taxadiene synthase
-
Williams, C. D. et al. Intramolecular proton transfer in the cyclization of geranylgeranyl diphosphate to the taxadiene precursor of taxol catalyzed by recombinant taxadiene synthase. Chem. Biol. 7, 969-977 (2000).
-
(2000)
Chem. Biol.
, vol.7
, pp. 969-977
-
-
Williams, C.D.1
-
23
-
-
28044454336
-
Studies on taxadiene synthase: Interception of the cyclization cascade at the isocembrene stage with GGPP analogs
-
Chow, S. Y., Williams, H. J., Huang, Q., Nanda, S. & Scott, A. I. Studies on taxadiene synthase: interception of the cyclization cascade at the isocembrene stage with GGPP analogs. J. Org. Chem. 70, 9997-10003 (2005).
-
(2005)
J. Org. Chem.
, vol.70
, pp. 9997-10003
-
-
Chow, S.Y.1
Williams, H.J.2
Huang, Q.3
Nanda, S.4
Scott, A.I.5
-
24
-
-
35848965918
-
Synthetic efficiency in enzyme mechanisms involving carbocations: Aristolochene synthase
-
Allemann, R. K., Young, N. J., Ma, S., Truhlar, D. G. & Gao, J. Synthetic efficiency in enzyme mechanisms involving carbocations: aristolochene synthase. J. Am. Chem. Soc. 129, 13008-13013 (2007).
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 13008-13013
-
-
Allemann, R.K.1
Young, N.J.2
Ma, S.3
Truhlar, D.G.4
Gao, J.5
-
25
-
-
45749137172
-
Stereochemistry of eudesmane cation formation during catalysis by aristolochene synthase from Penicillium roqueforti
-
Miller, D. J. et al. Stereochemistry of eudesmane cation formation during catalysis by aristolochene synthase from Penicillium roqueforti. Org. Biomol. Chem. 6, 2346-2354 (2008).
-
(2008)
Org. Biomol. Chem.
, vol.6
, pp. 2346-2354
-
-
Miller, D.J.1
-
26
-
-
0025102529
-
Aristolochene biosynthesis. Stereochemistry of the deprotonation steps in the enzymatic cyclization of farnesyl pyrophosphate
-
Cane, D. E., Prabhakaran, P. C., Oliver, J. S. & McIlwaine, D. B. Aristolochene biosynthesis. Stereochemistry of the deprotonation steps in the enzymatic cyclization of farnesyl pyrophosphate. J. Am. Chem. Soc. 112, 3209-3210 (1990).
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 3209-3210
-
-
Cane, D.E.1
Prabhakaran, P.C.2
Oliver, J.S.3
McIlwaine, D.B.4
-
27
-
-
46949087433
-
Rapid and enantioselective synthetic approaches to germanicol and other pentacyclic triterpenes
-
Surendra, K. & Corey, E. J. Rapid and enantioselective synthetic approaches to germanicol and other pentacyclic triterpenes. J. Am. Chem. Soc. 130, 8865-8869 (2008).
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 8865-8869
-
-
Surendra, K.1
Corey, E.J.2
-
28
-
-
84981890525
-
Dyotropic rearrangements, a new class of orbital-symmetry controlled reactions
-
Reetz, M. T. Dyotropic rearrangements, a new class of orbital-symmetry controlled reactions. Type I. Angew. Chem. Int. Ed. Engl. 11, 129-130 (1972).
-
(1972)
Type I. Angew. Chem. Int. Ed. Engl.
, vol.11
, pp. 129-130
-
-
Reetz, M.T.1
-
29
-
-
84981903846
-
Dyotropic rearrangements, a new class of orbital-symmetry controlled reactions
-
Reetz, M. T. Dyotropic rearrangements, a new class of orbital-symmetry controlled reactions. Type II. Angew. Chem. Int. Ed. Engl. 11, 130-131 (1972).
-
(1972)
Type II. Angew. Chem. Int. Ed. Engl.
, vol.11
, pp. 130-131
-
-
Reetz, M.T.1
-
30
-
-
0001455738
-
Primary and secondary orbital effects in dyotropic rearrangements
-
Reetz, M. T. Primary and secondary orbital effects in dyotropic rearrangements. Tetrahedron 29, 2189-2194 (1973).
-
(1973)
Tetrahedron
, vol.29
, pp. 2189-2194
-
-
Reetz, M.T.1
-
31
-
-
77956725159
-
Dyotropic rearrangements and related s-s exchange processes
-
Reetz, M. T. Dyotropic rearrangements and related s-s exchange processes. Adv. Organomet. Chem. 16, 33-65 (1977).
-
(1977)
Adv. Organomet. Chem.
, vol.16
, pp. 33-65
-
-
Reetz, M.T.1
-
32
-
-
84987306788
-
The stabilization of bridged structures of ethanes
-
Hoffmann, R. & Williams, J. E. Jr The stabilization of bridged structures of ethanes. Helv. Chim. Acta 55, 67-75 (1972).
-
(1972)
Helv. Chim. Acta
, vol.55
, pp. 67-75
-
-
Hoffmann, R.1
Williams Jr., J.E.2
-
33
-
-
57449085720
-
A theoretical study of SN20 reactions of allylic halides: Role of ion pairs
-
Streitwieser, A., Jayasree, E. G., Hasanayn, F. & Leung, S.-H. A theoretical study of SN20 reactions of allylic halides: role of ion pairs. J. Org. Chem. 73, 9426-9434 (2008).
-
(2008)
J. Org. Chem.
, vol.73
, pp. 9426-9434
-
-
Streitwieser, A.1
Jayasree, E.G.2
Hasanayn, F.3
Leung, S.-H.4
-
34
-
-
0000433095
-
Intramolecular dynamics for the organic chemist
-
Carpenter, B. K. Intramolecular dynamics for the organic chemist. Acc. Chem. Res. 25, 520-528 (1992).
-
(1992)
Acc. Chem. Res.
, vol.25
, pp. 520-528
-
-
Carpenter, B.K.1
-
35
-
-
0142165061
-
Nonexponential decay of reactive intermediates: New challenges for spectroscopic observation, kinetic modeling and mechanistic interpretation
-
Carpenter, B. K. Nonexponential decay of reactive intermediates: new challenges for spectroscopic observation, kinetic modeling and mechanistic interpretation. J. Phys. Org. Chem. 16, 858-868 (2003).
-
(2003)
J. Phys. Org. Chem.
, vol.16
, pp. 858-868
-
-
Carpenter, B.K.1
-
37
-
-
0000189651
-
Density-functional Thermochemistry. 3. the Role of Exact Exchange
-
Becke, A. D. Density-functional thermochemistry. 3. The role of exact exchange. J. Chem. Phys. 98, 5648-5652 (1993).
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
38
-
-
34250817103
-
A new mixing of Hartree-Fock and local density-function theories
-
Becke, A. D. A new mixing of Hartree-Fock and local density-function theories. J. Chem. Phys. 98, 1372-1377 (1993).
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 1372-1377
-
-
Becke, A.D.1
-
39
-
-
0345491105
-
Development of the Colle-Salvetti correlation- energy formula into a functional of the electron density
-
Lee, C., Yang, W. & Parr, R. G. Development of the Colle-Salvetti correlation- energy formula into a functional of the electron density. Phys. Rev. B 37, 785-789 (1988).
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
40
-
-
33751157732
-
Ab initio calculation of vibrational absorption and circular-dichroism spectra using density-functional force-fields
-
Stephens, P. J., Devlin, F. J., Chabalowski, C. F. & Frisch, M. J. Ab initio calculation of vibrational absorption and circular-dichroism spectra using density-functional force-fields. J. Phys. Chem. 98, 11623-11627 (1994).
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11623-11627
-
-
Stephens, P.J.1
Devlin, F.J.2
Chabalowski, C.F.3
Frisch, M.J.4
-
41
-
-
33645216534
-
Mechanistic insights into triterpene synthesis from quantum mechanical calculations. Detection of systematic errors in B3LYP cyclization energies
-
Matsuda, S. P. T.,Wilson,W. K. & Xiong, Q. Mechanistic insights into triterpene synthesis from quantum mechanical calculations. Detection of systematic errors in B3LYP cyclization energies. Org. Biomol. Chem. 4, 530-543 (2006).
-
(2006)
Org. Biomol. Chem.
, vol.4
, pp. 530-543
-
-
Matsuda, S.P.T.1
Wilson, W.K.2
Xiong, Q.3
-
42
-
-
4344577294
-
Hybrid meta density functional theory methods for thermochemistry, thermochemical kinetics, and noncovalent interactions: The MPW1B95 and MPWB1K models and comparative assessments for hydrogen bonding and van der Waals interactions
-
Zhao, Y. & Truhlar, D. G. Hybrid meta density functional theory methods for thermochemistry, thermochemical kinetics, and noncovalent interactions: the MPW1B95 and MPWB1K models and comparative assessments for hydrogen bonding and van der Waals interactions. J. Phys. Chem. A 108, 6908-6918 (2004).
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 6908-6918
-
-
Zhao, Y.1
Truhlar, D.G.2
-
43
-
-
34250345881
-
Representative benchmark suites for barrier heights of diverse reaction types and assessment of electronic structure methods for thermochemical kinetics
-
Zheng, J., Zhao, Y. & Truhlar, D. G. Representative benchmark suites for barrier heights of diverse reaction types and assessment of electronic structure methods for thermochemical kinetics. J. Chem. Theory Comput. 3, 569-582 (2007).
-
(2007)
J. Chem. Theory Comput.
, vol.3
, pp. 569-582
-
-
Zheng, J.1
Zhao, Y.2
Truhlar, D.G.3
-
44
-
-
18844424379
-
-
Johannes Kepler University, Linz
-
Müller, N., Falk, A. & Gsaller, G. Ball & Stick V.4.0a12, Molecular Graphics Application for MacOS Computers (Johannes Kepler University, Linz, 2004).
-
(2004)
Ball & Stick V.4.0a12, Molecular Graphics Application for MacOS Computers
-
-
Müller, N.1
|