-
1
-
-
0035282789
-
The cellular delivery of antisense oligonucleotides and ribozymes
-
Hughes, M. D.; Hussain, M.; Nawaz, Q.; Sayyed, P.; Akhtar, S. The cellular delivery of antisense oligonucleotides and ribozymes. DDT 2001, 6, 313-315.
-
(2001)
DDT
, vol.6
, pp. 313-315
-
-
Hughes, M.D.1
Hussain, M.2
Nawaz, Q.3
Sayyed, P.4
Akhtar, S.5
-
2
-
-
0030221186
-
Hammerhead ribozyme engineering
-
Usman, N.; Beigelman, L.; McSwiggen, J. A. Hammerhead ribozyme engineering. Curr. Opin. Struct. Biol. 1996, 1, 527-533.
-
(1996)
Curr. Opin. Struct. Biol.
, vol.1
, pp. 527-533
-
-
Usman, N.1
Beigelman, L.2
McSwiggen, J.A.3
-
3
-
-
11944267365
-
Antisense oligonucleotides: A new therapeutic principle
-
Uhlmann, E.; Peyman, A. Antisense oligonucleotides: a new therapeutic principle. Chem. Rev. 1990, 90, 543-584.
-
(1990)
Chem. Rev.
, vol.90
, pp. 543-584
-
-
Uhlmann, E.1
Peyman, A.2
-
4
-
-
0037377340
-
Rube Goldberg goes (ribo)nuclear? Molecular switches and sensors made from RNA
-
Silverman, S. K. Rube Goldberg goes (ribo)nuclear? Molecular switches and sensors made from RNA. RNA 2003, 9, 377-383.
-
(2003)
RNA
, vol.9
, pp. 377-383
-
-
Silverman, S.K.1
-
5
-
-
0036795275
-
A biosensor for theophylline based on fluorescence detection of ligand-induced hammerhead ribozyme cleavage
-
Sekella, P. T.; Rueda, D.; Walter, N. G. A biosensor for theophylline based on fluorescence detection of ligand-induced hammerhead ribozyme cleavage. RNA 2002, 8, 1242-1252.
-
(2002)
RNA
, vol.8
, pp. 1242-1252
-
-
Sekella, P.T.1
Rueda, D.2
Walter, N.G.3
-
6
-
-
0037383444
-
Ribozymes: Recent advances in the development of RNA tools
-
Puerta-Fernández, E.; Romero-López, C.; Barroso-Deljesus, A.; Berzal-Herranz, A. Ribozymes: recent advances in the development of RNA tools. FEMS Microbiol. Rev. 2003, 27, 75-97.
-
(2003)
FEMS Microbiol. Rev.
, vol.27
, pp. 75-97
-
-
Puerta-Fernández, E.1
Romero-López, C.2
Barroso-Deljesus, A.3
Berzal-Herranz, A.4
-
8
-
-
0000917638
-
In vitro selection of catalytic polynucleotides
-
Breaker, R. R. In vitro selection of catalytic polynucleotides. Chem. Rev. 1997, 97, 371-390.
-
(1997)
Chem. Rev.
, vol.97
, pp. 371-390
-
-
Breaker, R.R.1
-
9
-
-
0029951474
-
Ribozymes: Structure and mechanism in RNA catalysis
-
Scott, W. G.; Klug, A. Ribozymes: structure and mechanism in RNA catalysis. Trends Biochem. Sci. 1996, 21, 220-224.
-
(1996)
Trends Biochem. Sci.
, vol.21
, pp. 220-224
-
-
Scott, W.G.1
Klug, A.2
-
11
-
-
0032734004
-
RNA structure, metal ions, and catalysis
-
Scott, W. G. RNA structure, metal ions, and catalysis. Curr. Opin. Struct. Biol. 2000, 3, 705-709.
-
(2000)
Curr. Opin. Struct. Biol.
, vol.3
, pp. 705-709
-
-
Scott, W.G.1
-
12
-
-
0036601149
-
The role of metal ions in RNA catalysis
-
Fedor, M. J. The role of metal ions in RNA catalysis. Curr. Opin. Struct. Biol. 2002, 12, 289-295.
-
(2002)
Curr. Opin. Struct. Biol.
, vol.12
, pp. 289-295
-
-
Fedor, M.J.1
-
14
-
-
0030902181
-
Unifying the current data on the mechanism of cleavage- transesterification of RNA
-
Perreault, D. M.; Anslyn, E. V. Unifying the Current Data on the Mechanism of Cleavage-Transesterification of RNA. Angew. Chem., Int. Ed. Engl. 1997, 36, 432-450.
-
(1997)
Angew. Chem., Int. Ed. Engl.
, vol.36
, pp. 432-450
-
-
Perreault, D.M.1
Anslyn, E.V.2
-
15
-
-
11544373758
-
The hydrolysis of RNA: From theoretical calculations to the hammerhead ribozyme-mediated cleavage of RNA
-
Zhou, D.-M.; Taira, K. The Hydrolysis of RNA: From Theoretical Calculations to the Hammerhead Ribozyme-Mediated Cleavage of RNA. Chem. Rev. 1998, 98, 991-1026.
-
(1998)
Chem. Rev.
, vol.98
, pp. 991-1026
-
-
Zhou, D.-M.1
Taira, K.2
-
16
-
-
0001055719
-
Kinetics and mechanisms for the cleavage and isomerization of the phosphodiester bonds of RNA by brønsted acids and bases
-
Oivanen, M.; Kuusela, S.; Lönnberg, H. Kinetics and Mechanisms for the Cleavage and Isomerization of the Phosphodiester Bonds of RNA by Brønsted Acids and Bases. Chem. Rev. 1998, 98, 961-990.
-
(1998)
Chem. Rev.
, vol.98
, pp. 961-990
-
-
Oivanen, M.1
Kuusela, S.2
Lönnberg, H.3
-
17
-
-
0030476765
-
Capturing the structure of a catalytic RNA intermediate: The hammerhead ribozyme
-
Scott, W. G.; Murray, J. B.; Arnold, J. R. P.; Stoddard, B. L.; Klug, A. Capturing the structure of a catalytic RNA intermediate: The Hammerhead Ribozyme. Science 1996, 274, 2065-2069.
-
(1996)
Science
, vol.274
, pp. 2065-2069
-
-
Scott, W.G.1
Murray, J.B.2
Arnold, J.R.P.3
Stoddard, B.L.4
Klug, A.5
-
18
-
-
0033325108
-
Biophysical and biochemical investigations of RNA catalysis in the hammerhead ribozyme
-
Scott, W. G. Biophysical and biochemical investigations of RNA catalysis in the hammerhead ribozyme. Q. Rev. Biophys. 1999, 32, 241-294.
-
(1999)
Q. Rev. Biophys.
, vol.32
, pp. 241-294
-
-
Scott, W.G.1
-
19
-
-
0031995580
-
The hairpin ribozyme: Structure, assembly, and catalysis
-
Walter, N. G.; Burke, J. M. The hairpin ribozyme: structure, assembly, and catalysis. Curr. Opin. Chem. Biol. 1998, 2, 24-30.
-
(1998)
Curr. Opin. Chem. Biol.
, vol.2
, pp. 24-30
-
-
Walter, N.G.1
Burke, J.M.2
-
20
-
-
0037111875
-
Transition state stabilization by a catalytic RNA
-
Rupert, P. B.; Massey, A. P.; Sigurdsson, S. T.; Ferré- D'Amaré, A. R. Transition State Stabilization by a Catalytic RNA. Science 2002, 298, 1421-1424.
-
(2002)
Science
, vol.298
, pp. 1421-1424
-
-
Rupert, P.B.1
Massey, A.P.2
Sigurdsson, S.T.3
Ferré-D'Amaré, A.R.4
-
21
-
-
0025771210
-
Ribozyme-catalyzed and nonenzymatic reactions of phosphate effects upon substitution of sulfur for a nonbridging phosphoryl diesters: Rate oxygen atom
-
Herschlag, D.; Piccirilli, J. A.; Cech, T. R. Ribozyme-Catalyzed and Nonenzymatic Reactions of Phosphate Effects upon Substitution of Sulfur for a Nonbridging Phosphoryl Diesters: Rate Oxygen Atom. Biochemistry 1991, 30, 4844-4854.
-
(1991)
Biochemistry
, vol.30
, pp. 4844-4854
-
-
Herschlag, D.1
Piccirilli, J.A.2
Cech, T.R.3
-
22
-
-
0026698753
-
Exploiting the chemical synthesis of RNA
-
Usman, N.; Cedergren, R. Exploiting the chemical synthesis of RNA. Trends Biochem. Sci. 1992, 17, 334-339.
-
(1992)
Trends Biochem. Sci.
, vol.17
, pp. 334-339
-
-
Usman, N.1
Cedergren, R.2
-
23
-
-
0033577278
-
Comparisons of phosphorothioate and phosphate monoester transfer reactions: Activation parameters, solvent effects, and the effect of metal ions
-
Catrina, I. E.; Hengge, A. C. Comparisons of phosphorothioate and phosphate monoester transfer reactions: Activation parameters, solvent effects, and the effect of metal ions. J. Am. Chem. Soc. 1999, 121, 2156-2163.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 2156-2163
-
-
Catrina, I.E.1
Hengge, A.C.2
-
24
-
-
0034674037
-
Phosphorothioate substitution can substantially alter RNA conformation
-
Smith, J. S.; Nikonowicz, E. P. Phosphorothioate Substitution Can Substantially Alter RNA Conformation. Biochemistry 2000, 39, 5642-5652.
-
(2000)
Biochemistry
, vol.39
, pp. 5642-5652
-
-
Smith, J.S.1
Nikonowicz, E.P.2
-
25
-
-
0037532732
-
Comparisons of phosphorothioate with phosphate transfer reactions for a monoester, diester, and triester: Isotope effect studies
-
Catrina, I. E.; Hengge, A. C. Comparisons of Phosphorothioate with Phosphate Transfer Reactions for a Monoester, Diester, and Triester: Isotope Effect Studies. J. Am. Chem. Soc. 2003, 125, 7546-7552.
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 7546-7552
-
-
Catrina, I.E.1
Hengge, A.C.2
-
26
-
-
0029788628
-
On the mechanism of action of ribonuclease A: Relevance of enzymatic studies with a p-nitrophenyl phosphate ester and a thiophosphate ester
-
Breslow, R.; Chapman, W. H., Jr. On the mechanism of action of ribonuclease A: Relevance of enzymatic studies with a p-nitrophenyl phosphate ester and a thiophosphate ester. Proc. Natl. Acad. Sci. U.S.A. 1996, 93, 10018-10021.
-
(1996)
Proc. Natl. Acad. Sci. U.S.A.
, vol.93
, pp. 10018-10021
-
-
Breslow, R.1
Chapman Jr., W.H.2
-
27
-
-
0033102133
-
Mechanistic alternatives in phosphate monoester hydrolysis: What conclusions can be drawn from available experimental data?
-
Åqvist, J.; Kolmodin, K.; Florian, J.; Warshel, A. Mechanistic alternatives in phosphate monoester hydrolysis: what conclusions can be drawn from available experimental data? Chem. Biol. 1999, 6, R71-R80.
-
(1999)
Chem. Biol.
, vol.6
-
-
Åqvist, J.1
Kolmodin, K.2
Florian, J.3
Warshel, A.4
-
29
-
-
0001804089
-
Aspects of protein reaction dynamics: Deviations from simple behavior
-
Karplus, M. Aspects of Protein Reaction Dynamics: Deviations from Simple Behavior. J. Phys. Chem. B 2000, 104, 11-27.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 11-27
-
-
Karplus, M.1
-
30
-
-
0032054613
-
Quantum mechanical calculations on biological systems
-
Friesner, R. A.; Beachy, M. D. Quantum mechanical calculations on biological systems. Curr. Opin. Struct. Biol. 1998, 8, 257-262.
-
(1998)
Curr. Opin. Struct. Biol.
, vol.8
, pp. 257-262
-
-
Friesner, R.A.1
Beachy, M.D.2
-
31
-
-
0041876227
-
Computer simulations of enzyme catalysis: Methods, progress, and insights
-
Warshel, A. Computer simulations of enzyme catalysis: methods, progress, and insights. Annu. Rev. Biophyx. Biomol. Struct. 2003, 32, 425-443.
-
(2003)
Annu. Rev. Biophyx. Biomol. Struct.
, vol.32
, pp. 425-443
-
-
Warshel, A.1
-
32
-
-
0010835929
-
Nonexistence of dianionic pentacovalent intermediates in an ab initio study of the base-catalysed hydrolysis of ethylene phosphate
-
Lim, C.; Karplus, M. Nonexistence of dianionic pentacovalent intermediates in an ab initio study of the base-catalysed hydrolysis of ethylene phosphate. J. Am. Chem. Soc. 1990, 112, 5872-5873.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 5872-5873
-
-
Lim, C.1
Karplus, M.2
-
33
-
-
0000062728
-
Ab initio studies of a marginally stable intermediate in the base-catalyzed methanolysis of dimethyl phosphate and nonexistence of the stereoelectronically unfavorable transition state
-
Uchimaru, T.; Tanabe, K.; Nishikawa, S.; Taira, K. Ab Initio Studies of a Marginally Stable Intermediate in the Base-Catalyzed Methanolysis of Dimethyl Phosphate and Nonexistence of the Stereoelectronically Unfavorable Transition State. J. Am. Chem. Soc. 1991, 113, 4351-4353.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 4351-4353
-
-
Uchimaru, T.1
Tanabe, K.2
Nishikawa, S.3
Taira, K.4
-
34
-
-
4243050165
-
Concerted hydroxyl ion attack and pseudorotation in the base-catalyzed hydrolysis of methyl ethylene phosphate
-
Lim, C.; Tole, P. Concerted Hydroxyl Ion Attack and Pseudorotation in the Base-Catalyzed Hydrolysis of Methyl Ethylene Phosphate. J. Phys. Chem. 1992, 96, 5217-5219.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 5217-5219
-
-
Lim, C.1
Tole, P.2
-
35
-
-
0002769046
-
Quantum mechanical calculations on phosphate hydrolysis reactions
-
Mercero, J. M.; Barrett, P.; Lam, C. W.; Fowler, J. E.; Ugalde, J. M.; Pedersen, L. G. Quantum Mechanical Calculations on Phosphate Hydrolysis Reactions. J. Comput. Chem. 2000, 21, 43-51.
-
(2000)
J. Comput. Chem.
, vol.21
, pp. 43-51
-
-
Mercero, J.M.1
Barrett, P.2
Lam, C.W.3
Fowler, J.E.4
Ugalde, J.M.5
Pedersen, L.G.6
-
36
-
-
22744443887
-
Thiolysis and alcoholysis of phosphate tri- and monoesters with alkyl and aryl leaving groups. An ab initio study in the gas phase
-
Arantes, G. M.; Chaimovich, B. Thiolysis and Alcoholysis of Phosphate Tri- and Monoesters with Alkyl and Aryl Leaving Groups. An ab Initio Study in the Gas Phase. J. Phys. Chem. A 2005, 109, 5625-5635.
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 5625-5635
-
-
Arantes, G.M.1
Chaimovich, B.2
-
37
-
-
0001752775
-
Dianionic pentacoordinate species in the base-catalyzed hydrolysis of ethylene and dimethyl phosphate
-
Dejaegere, A.; Lim, C.; Karplus, M. Dianionic Pentacoordinate Species in the Base-Catalyzed Hydrolysis of Ethylene and Dimethyl Phosphate. J. Am. Chem. Soc. 1991, 113, 4353-4355.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 4353-4355
-
-
Dejaegere, A.1
Lim, C.2
Karplus, M.3
-
38
-
-
0000054212
-
Hydrolysis rate difference between cyclic and acyclic phosphate esters: Solvation versus strain
-
Dejaegere, A.; Karplus, M. Hydrolysis Rate Difference between Cyclic and Acyclic Phosphate Esters: Solvation versus Strain. J. Am. Chem. Soc. 1993, 115, 5316-5317.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 5316-5317
-
-
Dejaegere, A.1
Karplus, M.2
-
39
-
-
33751386038
-
New insights into the base-catalyzed hydrolysis of methyl ethylene phosphate
-
Tole, P.; Lim, C. New Insights into the Base-Catalyzed Hydrolysis of Methyl Ethylene Phosphate. J. Phys. Chem. 1993, 97, 6212-6219.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 6212-6219
-
-
Tole, P.1
Lim, C.2
-
40
-
-
0001017826
-
The significance of electrostatic effects in phospho-ester hydrolysis
-
Tole, P.; Lim, C. The Significance of Electrostatic Effects in Phospho-Ester Hydrolysis. J. Am. Chem. Soc. 1994, 116, 3922-3931.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 3922-3931
-
-
Tole, P.1
Lim, C.2
-
41
-
-
0031268581
-
An ab initio study of nucleophilic attack of trimethyl phosphate: Factors influencing site reactivity
-
Chang, N.; Lim, C. An ab initio study of nucleophilic attack of trimethyl phosphate: Factors influencing site reactivity. J. Phys. Chem. A 1997, 101, 8706-8713.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 8706-8713
-
-
Chang, N.1
Lim, C.2
-
42
-
-
0035965685
-
Solvent effects on the reaction coordinate of the hydrolysis of phosphates and sulfates: Application of hammond and anti-hammond postulates to understand hydrolysis in solution
-
Lopez, X.; Dejaegere, A.; Karplus, M. Solvent Effects on the Reaction Coordinate of the Hydrolysis of Phosphates and Sulfates: Application of Hammond and Anti-Hammond Postulates to Understand Hydrolysis in Solution. J. Am. Chem. Soc. 2001, 123, 11755-11763.
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 11755-11763
-
-
Lopez, X.1
Dejaegere, A.2
Karplus, M.3
-
44
-
-
84961980728
-
Theoretical determination of activation free energies for alkaline hydrolysis of cyclic and acyclic phosphodiesters in aqueous solution
-
Chen, X.; Zhan, C.-G. Theoretical determination of activation free energies for alkaline hydrolysis of cyclic and acyclic phosphodiesters in aqueous solution. J. Phys. Chem. A 2004, 108, 6407-6413.
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 6407-6413
-
-
Chen, X.1
Zhan, C.-G.2
-
45
-
-
84961974252
-
Theoretical studies of dissociative phosphoryl transfer in interconversion of phosphoenolpyruvate to phosphonopyruvate: Solvent effects, thio effects, and implications for enzymatic reactions
-
Xu, D.; Guo, H.; Liu, Y.; York, D. M. Theoretical Studies of Dissociative Phosphoryl Transfer in Interconversion of Phosphoenolpyruvate to Phosphonopyruvate: Solvent Effects, Thio Effects, and Implications for Enzymatic Reactions. J. Phys. Chem. B 2005, 109, 13827-13834.
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 13827-13834
-
-
Xu, D.1
Guo, H.2
Liu, Y.3
York, D.M.4
-
46
-
-
0030858487
-
A fundamental assumption about OH-attack in phosphate ester hydrolysis is not fully justified
-
Florián, J.; Warshel, A. A fundamental assumption about OH-attack in phosphate ester hydrolysis is not fully justified. J. Am. Chem. Soc. 1997, 119, 5473-5474.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 5473-5474
-
-
Florián, J.1
Warshel, A.2
-
47
-
-
0031646592
-
Phosphate ester hydrolysis in aqueous solution: Associative versus dissociative mechanisms
-
Florian, J.; Warshel, A. Phosphate ester hydrolysis in aqueous solution: Associative versus dissociative mechanisms. J. Phys. Chem. B 1998, 102, 719-734.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 719-734
-
-
Florian, J.1
Warshel, A.2
-
48
-
-
0000346433
-
Theoretical studies of the hydrolysis of the hydrolysis of the methyl phosphate anion
-
Hu, C.-H.; Brinck, T. Theoretical Studies of the Hydrolysis of the Methyl Phosphate Anion. J. Phys. Chem. A 1999, 103, 5379-5386.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 5379-5386
-
-
Hu, C.-H.1
Brinck, T.2
-
49
-
-
0032494448
-
Energetics of the catalytic reaction of Ribonuclease A: A computational study of alternative mechanisms
-
Glennon, T. M.; Warshel, A. Energetics of the catalytic reaction of Ribonuclease A: A computational study of alternative mechanisms. J. Am. Chem. Soc. 1998, 120, 10234-10247.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 10234-10247
-
-
Glennon, T.M.1
Warshel, A.2
-
50
-
-
0032503520
-
Application of trajectory surface hopping to the study of intramolecular electron transfer in polyatomic organic systems
-
Jones, G. A.; Carpenter, B. K.; Paddon-Row, M. N. Application of Trajectory Surface Hopping to the Study of Intramolecular Electron Transfer in Polyatomic Organic Systems. J. Am. Chem. Soc. 1998, 120. 5488-5498.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 5488-5498
-
-
Jones, G.A.1
Carpenter, B.K.2
Paddon-Row, M.N.3
-
51
-
-
0035808714
-
Theoretical studies on the hydrolysis of phosphate diesters in the gas phase, solution, and RNase a
-
Lopez, X.; York, D. M.; Dejaegere, A.; Karplus, M. Theoretical Studies on the Hydrolysis of Phosphate Diesters in the Gas Phase, Solution, and RNase A. Int. J. Quantum Chem. 2002, 86, 10-26.
-
(2002)
Int. J. Quantum Chem.
, vol.86
, pp. 10-26
-
-
Lopez, X.1
York, D.M.2
Dejaegere, A.3
Karplus, M.4
-
52
-
-
0001085352
-
Sulfur does not form double bonds in phosphorothioate anions
-
Liang, C.; Allen, L. C. Sulfur Does Not Form Double Bonds in Phosphorothioate Anions. J. Am. Chem. Soc. 1987, 109, 6449-6453.
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 6449-6453
-
-
Liang, C.1
Allen, L.C.2
-
53
-
-
0032511418
-
Conformational flexibility of phosphate, phosphonate, and phosphorothioate methyl esters in aqueous solution
-
Florián, J.; Štrajbl, M.; Warshel, A. Conformational flexibility of phosphate, phosphonate, and phosphorothioate methyl esters in aqueous solution. J. Am. Chem. Soc. 1998, 120, 7959-7966.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 7959-7966
-
-
Florián, J.1
Štrajbl, M.2
Warshel, A.3
-
54
-
-
3442895931
-
Pseudorotation of natural and chemically modified biological phosphoranes: Implications for RNA catalysis
-
Lopez, C. S.; Faza, O. N.; Gregersen, B. A.; Lopez, X.; De Lera, A. R.; York, D. M. Pseudorotation of Natural and Chemically Modified Biological Phosphoranes: Implications for RNA Catalysis. Chem. Phys. Chem. 2004, 5, 1045-1049.
-
(2004)
Chem. Phys. Chem.
, vol.5
, pp. 1045-1049
-
-
Lopez, C.S.1
Faza, O.N.2
Gregersen, B.A.3
Lopez, X.4
De Lera, A.R.5
York, D.M.6
-
55
-
-
23944441982
-
Kinetic isotope effects on thiosubstituted biological phosphoryl transfer reactions from density functional theory
-
Liu, Y.; Lopez, X.; York, D. M. Kinetic isotope effects on thiosubstituted biological phosphoryl transfer reactions from density functional theory. Chem. Commun. 2005, 31, 3909-3911.
-
(2005)
Chem. Commun.
, vol.31
, pp. 3909-3911
-
-
Liu, Y.1
Lopez, X.2
York, D.M.3
-
56
-
-
0001700991
-
Mechanism of the chemoselective and stereoselective ring opening of oxathiaphospholanes: An ab initio study
-
Uchimaru, T.; Stec, W. J.; Taira, K. Mechanism of the Chemoselective and Stereoselective Ring Opening of Oxathiaphospholanes: An Ab Initio Study. J. Org. Chem. 1997, 62. 5793-5800.
-
(1997)
J. Org. Chem.
, vol.62
, pp. 5793-5800
-
-
Uchimaru, T.1
Stec, W.J.2
Taira, K.3
-
57
-
-
4244202790
-
Ab initio investigation on nucleophilic ring opening of 1,3,2-oxathiaphospholane: Nucleophilic substitution at phosphorus coupled with pseudorotation
-
Uchimaru, T.; Stec, W. J.; Tsuzuki, S.; Hirose, T.; Tanabe, K.; Taira, K. Ab initio investigation on nucleophilic ring opening of 1,3,2- oxathiaphospholane: nucleophilic substitution at phosphorus coupled with pseudorotation. Chem. Phys. Lett. 1996, 263, 691-696.
-
(1996)
Chem. Phys. Lett.
, vol.263
, pp. 691-696
-
-
Uchimaru, T.1
Stec, W.J.2
Tsuzuki, S.3
Hirose, T.4
Tanabe, K.5
Taira, K.6
-
58
-
-
4243553426
-
Density functional exchange-energy approximation with correct asymptotic behavior
-
Becke, A. D. Density functional exchange-energy approximation with correct asymptotic behavior. Phys. Rev. A. 1988, 38, 3098-3100.
-
(1988)
Phys. Rev. A.
, vol.38
, pp. 3098-3100
-
-
Becke, A.D.1
-
59
-
-
0000189651
-
Density functional thermochemistry. III. The role of exact exchange
-
Becke. A. D. Density functional thermochemistry. III. The role of exact exchange. J. Chem. Phys. 1993, 95, 5648-5652.
-
(1993)
J. Chem. Phys.
, vol.95
, pp. 5648-5652
-
-
Becke, A.D.1
-
60
-
-
0345491105
-
Development of the Colle-Savetti Correlation energy formula into a functional of the electron density
-
Lee, C.; Yang, W.; Parr, R. G. Development of the Colle-Savetti Correlation energy formula into a functional of the electron density. Phys. Rev. B. 1988, 37, 785-789.
-
(1988)
Phys. Rev. B.
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
61
-
-
2442481958
-
Using redundant internal coordinates to optimize equilibrium geometries and transition states
-
Peng, C.; Ayala, P. Y.; Schlegel, H. B.; Frisch, M. J. Using redundant internal coordinates to optimize equilibrium geometries and transition states. J. Comput. Chem. 1996, 17, 49-56.
-
(1996)
J. Comput. Chem.
, vol.17
, pp. 49-56
-
-
Peng, C.1
Ayala, P.Y.2
Schlegel, H.B.3
Frisch, M.J.4
-
62
-
-
0001122358
-
Stability analysis for solutions of the closed-shell Kohn-Sham equation
-
Bauernschmitt, R.; Ahlrichs, R. Stability analysis for solutions of the closed-shell Kohn-Sham equation. J. Chem. Phys. 1996, 104, 9047-9052.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 9047-9052
-
-
Bauernschmitt, R.1
Ahlrichs, R.2
-
63
-
-
36749120696
-
Self-consistent molecular orbital methods. XVIII. Constraints and stability in Hartree-Fock theory
-
Seeger, R.; Pople, J. A. Self-consistent molecular orbital methods. XVIII. Constraints and stability in Hartree-Fock theory. J. Chem. Phys. 1977, 66, 3045-3050.
-
(1977)
J. Chem. Phys.
, vol.66
, pp. 3045-3050
-
-
Seeger, R.1
Pople, J.A.2
-
64
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
xaeFrisch, Æ.; Frisch, M. J. Gaussian 98 User's Reference, 2nd ed.; Gaussian, Inc.: Pittsburgh, PA, 1999.
-
(1999)
Gaussian 98 User's Reference, 2nd Ed.
-
-
Frisch, M.J.1
-
65
-
-
15744375697
-
-
Gaussian, Inc.: Wallingford, CT
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Kiene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision B.01; Gaussian, Inc.: Wallingford, CT, 2004.
-
(2004)
Gaussian 03, Revision B.01
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery Jr., J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Kiene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Bakken, V.36
Adamo, C.37
Jaramillo, J.38
Gomperts, R.39
Stratmann, R.E.40
Yazyev, O.41
Austin, A.J.42
Cammi, R.43
Pomelli, C.44
Ochterski, J.W.45
Ayala, P.Y.46
Morokuma, K.47
Voth, G.A.48
Salvador, P.49
Dannenberg, J.J.50
Zakrzewski, V.G.51
Dapprich, S.52
Daniels, A.D.53
Strain, M.C.54
Farkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.58
Foresman, J.B.59
Ortiz, J.V.60
Cui, Q.61
Baboul, A.G.62
Clifford, S.63
Cioslowski, J.64
Stefanov, B.B.65
Liu, G.66
Liashenko, A.67
Piskorz, P.68
Komaromi, I.69
Martin, R.L.70
Fox, D.J.71
Keith, T.72
Al-Laham, M.A.73
Peng, C.Y.74
Nanayakkara, A.75
Challacombe, M.76
Gill, P.M.W.77
Johnson, B.78
Chen, W.79
Wong, M.W.80
Gonzalez, C.81
Pople, J.A.82
more..
-
66
-
-
84962339888
-
The structure and stability of biological metaphosphate, phosphate, and phosphorane compounds in the gas phase and in solution
-
Range, K.; McGrath, M. J.; Lopez, X.; York, D. M. The Structure and Stability of Biological Metaphosphate, Phosphate, and Phosphorane Compounds in the Gas Phase and in Solution. J. Am. Chem. Soc. 2004, 726, 1654-1665.
-
(2004)
J. Am. Chem. Soc.
, vol.726
, pp. 1654-1665
-
-
Range, K.1
McGrath, M.J.2
Lopez, X.3
York, D.M.4
-
67
-
-
84962359838
-
Structure and binding of Mg(II) ions and dimetal bridge complexes with biological phosphates and phosphoranes
-
Mayaan, E.; Range, K.; York, D. M. Structure and binding of Mg(II) ions and dimetal bridge complexes with biological phosphates and phosphoranes. J. Biol. Inorg. Chem. 2004, 9, 807-817.
-
(2004)
J. Biol. Inorg. Chem.
, vol.9
, pp. 807-817
-
-
Mayaan, E.1
Range, K.2
York, D.M.3
-
68
-
-
15944404979
-
Pseudorotation barriers of biological oxyphosphoranes: A challenge for simulations of ribozyme catalysis
-
Löpez, C. S.; Faza, O. N.; R. De Lera, A.; York, D. M. Pseudorotation Barriers of Biological Oxyphosphoranes: A Challenge for Simulations of Ribozyme Catalysis. Chem-Eur. J. 2005, 11, 2081-2093.
-
(2005)
Chem-eur. J.
, vol.11
, pp. 2081-2093
-
-
Löpez, C.S.1
Faza, O.N.2
De Lera, A.R.3
York, D.M.4
-
70
-
-
84961981091
-
Implicit solvation models: Equilibria, structure, spectra, and dynamics
-
Cramer, C. J.; Truhlar, D. G. Implicit solvation models: equilibria, structure, spectra, and dynamics. Chem. Rev. 1999, 99, 2161-2200.
-
(1999)
Chem. Rev.
, vol.99
, pp. 2161-2200
-
-
Cramer, C.J.1
Truhlar, D.G.2
-
71
-
-
11744256643
-
Molecular interaction in solution: An overview of methods based on continuous distributions of the solvent
-
Tomasi, J.; Persico, M. Molecular interaction in solution: An overview of methods based on continuous distributions of the solvent. Chem. Rev. 1994, 94, 2027-2094.
-
(1994)
Chem. Rev.
, vol.94
, pp. 2027-2094
-
-
Tomasi, J.1
Persico, M.2
-
72
-
-
84962429297
-
Solvation effects on reaction profiles by the polarizable continuum model coupled with the Gaussian density functional method
-
Mineva, T.; Russo, N.; Sicilia, E. Solvation Effects on Reaction Profiles by the Polarizable Continuum Model Coupled with the Gaussian Density Functional Method. J. Comput. Chem. 1998, 19, 290-299.
-
(1998)
J. Comput. Chem.
, vol.19
, pp. 290-299
-
-
Mineva, T.1
Russo, N.2
Sicilia, E.3
-
73
-
-
84961986752
-
New developments in the polarizable continuum model for quantum mechanical and classical calculations on molecules in solution
-
Cossi, M.; Scalmani, G.; Rega, N.; Barone, V. New developments in the polarizable continuum model for quantum mechanical and classical calculations on molecules in solution. J. Chem. Phys. 2002, 117, 43-54.
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 43-54
-
-
Cossi, M.1
Scalmani, G.2
Rega, N.3
Barone, V.4
-
74
-
-
84961980743
-
Cosmo: A new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
-
Klamt, A.; Schüürmann, G. Cosmo: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient. J. Chem. Soc., Perkin Trans. 2 1993, 2, 799-805.
-
(1993)
J. Chem. Soc., Perkin Trans. 2
, vol.2
, pp. 799-805
-
-
Klamt, A.1
Schüürmann, G.2
-
75
-
-
4244072997
-
Refinement and Parametrization of COSMO-RS
-
Klamt, A.; Jonas, V.; Bürger, T.; Lohrenz, J. C. W. Refinement and Parametrization of COSMO-RS. J. Phys. Chem. A 1998, 102, 5074-5085.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 5074-5085
-
-
Klamt, A.1
Jonas, V.2
Bürger, T.3
Lohrenz, J.C.W.4
-
76
-
-
84961985847
-
Quantum calculation of molecular energies and energy gradients in solution by a conductor solvent model
-
Barone, V.; Cossi, M. Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model. J. Phys. Chem. A 1998, 102, 1995-2001.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 1995-2001
-
-
Barone, V.1
Cossi, M.2
-
77
-
-
0033269427
-
Extension of the platform of applicability of the SM5.42R universal solvation model
-
Li, J.; Zhu, T.; Hawkins, G. D.; Winget, P.; Liotard, D. A.; Cramer, C. J.; Truhlar, D. G. Extension of the platform of applicability of the SM5.42R universal solvation model. Theor. Chem. Acc. 1999, 103, 9-63.
-
(1999)
Theor. Chem. Acc.
, vol.103
, pp. 9-63
-
-
Li, J.1
Zhu, T.2
Hawkins, G.D.3
Winget, P.4
Liotard, D.A.5
Cramer, C.J.6
Truhlar, D.G.7
-
78
-
-
0003681075
-
-
University of Minnesota: Minneapolis, MN
-
Xidos, J. D.; Li, J.; Thompson, J. D.; Hawkins, G. D.; Winget, P. D.; Zhu, T.; Rinaldi, D.; Liotard, D. A.; Cramer, C. J.; Truhlar, D. G.; Frisch, M. J. MN-GSM, version 1.8; University of Minnesota: Minneapolis, MN, 2001.
-
(2001)
MN-GSM, Version 1.8
-
-
Xidos, J.D.1
Li, J.2
Thompson, J.D.3
Hawkins, G.D.4
Winget, P.D.5
Zhu, T.6
Rinaldi, D.7
Liotard, D.A.8
Cramer, C.J.9
Truhlar, D.G.10
Frisch, M.J.11
-
79
-
-
28944448830
-
A smooth solvation potential based on the conductor-like screening model
-
York, D. M.; Karplus, M. A smooth solvation potential based on the Conductor-Like Screening Model. J. Phys. Chem. A 1999, 103, 11060-11079.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 11060-11079
-
-
York, D.M.1
Karplus, M.2
-
80
-
-
19944382179
-
Smooth solvation method for d-orbital semiempirical calculations of biological reactions. 1. Implementation
-
Khandogin, J.; Gregersen, B. A.; Thiel, W.; York, D. M. Smooth Solvation Method for d-Orbital Semiempirical Calculations of Biological Reactions. 1. Implementation. J. Phys. Chem. B 2005, 109, 9799-9809.
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 9799-9809
-
-
Khandogin, J.1
Gregersen, B.A.2
Thiel, W.3
York, D.M.4
-
81
-
-
19944382179
-
Smooth solvation method for d-orbital semiempirical calculations of biological reactions. 2. Application to transphosphorylation thio effects in solution
-
Gregersen, B. A.; Khandogin, J.; Thiel, W.; York, D. M. Smooth Solvation Method for d-Orbital Semiempirical Calculations of Biological Reactions. 2. Application to Transphosphorylation Thio Effects in Solution. J. Phys. Chem. B 2005, 109, 9810-9817.
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 9810-9817
-
-
Gregersen, B.A.1
Khandogin, J.2
Thiel, W.3
York, D.M.4
-
82
-
-
84961981991
-
A new definition of cavities for the computation of solvation free energies by the polarizable contiuum model
-
Barone, V.; Cossi, M.; Tomasi, J. A new definition of cavities for the computation of solvation free energies by the polarizable contiuum model. J. Chem. Phys. 1997, 107, 3210-3221.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 3210-3221
-
-
Barone, V.1
Cossi, M.2
Tomasi, J.3
-
83
-
-
0000188281
-
The MIDI! Basis set for quantum mechanical calculations of molecular geometries and partial charges
-
Easton, R. E.; Giesen, D. J.; Welch, A.; Cramer, C. J.; Truhlar, D. G. The MIDI! basis set for quantum mechanical calculations of molecular geometries and partial charges. Theor. Chem. Acc. 1996, 93, 281-301.
-
(1996)
Theor. Chem. Acc.
, vol.93
, pp. 281-301
-
-
Easton, R.E.1
Giesen, D.J.2
Welch, A.3
Cramer, C.J.4
Truhlar, D.G.5
-
84
-
-
0030032337
-
3′-thiouridylyl-(3′ -5′)-uridine
-
Liu, X.; Reese, C. B. 3′-Thiouridylyl-(3′ -5′)-uridine. Tetrahedron Lett. 1996, 37, 925-928.
-
(1996)
Tetrahedron Lett.
, vol.37
, pp. 925-928
-
-
Liu, X.1
Reese, C.B.2
-
85
-
-
0029844517
-
Synthesis and characterization of an RNA dinucleotide containing a 3′-S-phosphorothiolate linkage
-
Weinstein, L. B.; Earnshaw, D. J.; Cosstick, R.; Cech, T. R. Synthesis and characterization of an RNA dinucleotide containing a 3′-S- phosphorothiolate linkage. J. Am. Chem. Soc. 1996, 118, 10341-10350.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 10341-10350
-
-
Weinstein, L.B.1
Earnshaw, D.J.2
Cosstick, R.3
Cech, T.R.4
-
86
-
-
5244245983
-
A correlation of reaction rates
-
Hammond, G. S. A Correlation of Reaction Rates. J. Am. Chem. Soc. 1955, 77, 334-338.
-
(1955)
J. Am. Chem. Soc.
, vol.77
, pp. 334-338
-
-
Hammond, G.S.1
-
87
-
-
3042520570
-
A primer for the bema hapothle. An empirical approach to the characterization of changing transition state structures
-
Jencks, W. P. A Primer for the Bema Hapothle. An Empirical Approach to the Characterization of Changing Transition State Structures. Chem. Rev. 1985, 85, 511-527.
-
(1985)
Chem. Rev.
, vol.85
, pp. 511-527
-
-
Jencks, W.P.1
-
89
-
-
33845185675
-
IUPAC recommendations for the representation of reaction mechanisms
-
Guthrie, R. D.; Jencks, W. P. IUPAC Recommendations for the Representation of Reaction Mechanisms. Acc. Chem. Res. 1989, 22, 343-349.
-
(1989)
Acc. Chem. Res.
, vol.22
, pp. 343-349
-
-
Guthrie, R.D.1
Jencks, W.P.2
-
90
-
-
33845374932
-
Ionization potentials and electron affinities in aqueous solution
-
Pearson, R. C. Ionization Potentials and Electron Affinities in Aqueous Solution. J. Am. Chem. Soc. 1986, 108, 6109-6114.
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 6109-6114
-
-
Pearson, R.C.1
-
91
-
-
0031187388
-
Langevin dipoles model for ab initio calculations of chemical processes in solution: Parametrization and application to hydration free energies of of neutral and ionic solutes and conformational analysis in aqueous solutions
-
Florian, J.; Warshel, A. Langevin Dipoles Model for Ab Initio Calculations of Chemical Processes in Solution: Parametrization and Application to Hydration Free Energies of of Neutral and Ionic Solutes and Conformational Analysis in Aqueous Solutions. J. Phys. Chem. B 1997, 101, 5583-5595.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 5583-5595
-
-
Florian, J.1
Warshel, A.2
-
92
-
-
0037149134
-
Accurate prediction of acidity constants in aqueous solution via density functional theory and self-consistent reaction field methods
-
Klicić, J. J.; Friesner, R. A.; Liu, S.-Y.; Guida, W. C. Accurate Prediction of Acidity Constants in Aqueous Solution via Density Functional Theory and Self-Consistent Reaction Field Methods. J. Phys. Chem. A 2002, 106, 1327-1335.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 1327-1335
-
-
Klicić, J.J.1
Friesner, R.A.2
Liu, S.-Y.3
Guida, W.C.4
-
93
-
-
84962424862
-
New universal solvation model and comparison of the accuracy of the SM5.42R, SM5.43R, C-PCM, D-PCM, and IEF-PCM continuum solvation models for aqueous and organic solvation free energies and for vapor pressures
-
Thompson, J. D.; Cramer, C. J.; Truhlar, D. G. New Universal Solvation Model and Comparison of the Accuracy of the SM5.42R, SM5.43R, C-PCM, D-PCM, and IEF-PCM Continuum Solvation Models for Aqueous and Organic Solvation Free Energies and for Vapor Pressures. J. Phys. Chem. A. 2004, 108, 6532-6542.
-
(2004)
J. Phys. Chem. A.
, vol.108
, pp. 6532-6542
-
-
Thompson, J.D.1
Cramer, C.J.2
Truhlar, D.G.3
-
94
-
-
0033575087
-
Kinetics of RNA degradation by specific base catalysis of transesterification involving the 2′-hydroxyl group
-
Li, Y.; Breaker, R. R. Kinetics of RNA Degradation by Specific Base Catalysis of Transesterification Involving the 2′-Hydroxyl Group. J. Am. Chem. Soc. 1999, 121, 5364-5372.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 5364-5372
-
-
Li, Y.1
Breaker, R.R.2
-
95
-
-
0037774586
-
Hybrid QM/MM study of thio effects in transphosphorylation reactions
-
Gregersen, B. A.; Lopez, X.; York, D. M. Hybrid QM/MM study of thio effects in transphosphorylation reactions. J. Am. Chem. Soc. 2003, 1725, 7178-7179.
-
(2003)
J. Am. Chem. Soc.
, vol.1725
, pp. 7178-7179
-
-
Gregersen, B.A.1
Lopez, X.2
York, D.M.3
-
96
-
-
2942667708
-
Hybrid QM/MM study of thio effects in transphosphorylation reactions: The role of solvation
-
Gregersen, B. A.; Lopez, X.; York, D. M. Hybrid QM/MM Study of Thio Effects in Transphosphorylation Reactions: The Role of Solvation. J. Am. Chem. Soc. 2004, 126, 7504-7513.
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 7504-7513
-
-
Gregersen, B.A.1
Lopez, X.2
York, D.M.3
-
97
-
-
0348244547
-
All-atom empirical force field for nucleic acids: I. Parameter optimization based on small molecule and condensed phase macromolecular target data
-
Foloppe, N.; Mackerell, Jr., A. D. All-atom empirical force field for nucleic acids: I. Parameter optimization based on small molecule and condensed phase macromolecular target data. J. Comput. Chem. 2000, 21, 86-104.
-
(2000)
J. Comput. Chem.
, vol.21
, pp. 86-104
-
-
Foloppe, N.1
Mackerell Jr., A.D.2
-
98
-
-
0029853618
-
Reactivity of a 2′-thio nucleotide analogue
-
Dantzman, C. L.; Kiessling, L. L. Reactivity of a 2′-thio nucleotide analogue. J. Am. Chem. Soc. 1996, 118, 11715-11719.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 11715-11719
-
-
Dantzman, C.L.1
Kiessling, L.L.2
-
99
-
-
0028949606
-
Uridylyl-(3′ → 5′)-(5′-thiouridine). An exceptionally base-labile diribonucleoside phosphate analogue
-
Liu, X.; Reese, C. B. Uridylyl-(3′ → 5′)-(5′- thiouridine). An exceptionally base-labile diribonucleoside phosphate analogue. Tetrahedron Lett. 1995, 36, 3413-3416.
-
(1995)
Tetrahedron Lett.
, vol.36
, pp. 3413-3416
-
-
Liu, X.1
Reese, C.B.2
-
100
-
-
0029818441
-
Synthesis and properties of diuridine phosphate analogues containing thio and amino modifications
-
Thomson, J. B.; Patel, B. K.; Jiménez, V.; Eckart, K.; Eckstein, F. Synthesis and properties of diuridine phosphate analogues containing thio and amino modifications. J. Org. Chem. 1996, 61, 6273-6281.
-
(1996)
J. Org. Chem.
, vol.61
, pp. 6273-6281
-
-
Thomson, J.B.1
Patel, B.K.2
Jiménez, V.3
Eckart, K.4
Eckstein, F.5
-
101
-
-
0018796264
-
Diastereomers of 5′-O-adenosyl 3′-O-uridyl phosphorothioate: Chemical synthesis and enzymatic properties
-
Burgers, P. M. J.; Eckstein, F. Diastereomers of 5′-O-Adenosyl 3′-O-Uridyl Phosphorothioate: Chemical Synthesis and Enzymatic Properties. Biochemistry 1979, 18, 592-596.
-
(1979)
Biochemistry
, vol.18
, pp. 592-596
-
-
Burgers, P.M.J.1
Eckstein, F.2
-
102
-
-
0025866056
-
Intramolecular transesterification in thiophosphate-analogues of an RNA-dimer
-
Almer, H.; Strömberg, R. Intramolecular transesterification in thiophosphate-analogues of an RNA-dimer. Tetrahedron Lett. 1991, 32, 3723-3726.
-
(1991)
Tetrahedron Lett.
, vol.32
, pp. 3723-3726
-
-
Almer, H.1
Strömberg, R.2
-
103
-
-
0029788767
-
Base catalysis and leaving group dependence in intramolecular alcoholysis of uridine 3′-(aryl phosphorothioate)s
-
Almer, H.; Strömberg, R. Base catalysis and leaving group dependence in intramolecular alcoholysis of uridine 3′-(aryl phosphorothioate)s. J. Am. Chem. Soc. 1996, 118, 7921-7928.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 7921-7928
-
-
Almer, H.1
Strömberg, R.2
-
104
-
-
0029937197
-
Hydrolysis and desulfurization of the diastereomeric phosphoromonothioate analogues of uridine 2′, 3′-cyclic monophosphate
-
Ora, M.; Oivanen, M.; Lönnberg, H. Hydrolysis and Desulfurization of the Diastereomeric Phosphoromonothioate Analogues of Uridine 2′, 3′-Cyclic Monophosphate. J. Org. Chem. 1996, 61, 3951-3955.
-
(1996)
J. Org. Chem.
, vol.61
, pp. 3951-3955
-
-
Ora, M.1
Oivanen, M.2
Lönnberg, H.3
-
105
-
-
0030905820
-
Phosphoester hydrolysis and intramolecular transesterification of ribonucleoside 2′- and 3′-phosphoromonothioate triesters: Kinetics and mechanisms for the reactions of 5′-0-methyluridine 2′- and 3′-dimethylphosphoromonothioates
-
Ora, M.; Oivanen, M; Lönnberg, H. Phosphoester Hydrolysis and Intramolecular Transesterification of Ribonucleoside 2′- and 3′-Phosphoromonothioate Triesters: Kinetics and Mechanisms for the Reactions of 5′-0-Methyluridine 2′- and 3′- Dimethylphosphoromonothioates. J. Org. Chem. 1997, 62, 3246-3253.
-
(1997)
J. Org. Chem.
, vol.62
, pp. 3246-3253
-
-
Ora, M.1
Oivanen, M.2
Lönnberg, H.3
-
106
-
-
0342424702
-
Hydrolytic reactions of the phosphorodithioate analogue of uridyly(3′,5′)uridine: Kinetics and mechanisms for the cleavage, desulfurization, and isomerization of the internucleosidic linkage
-
Ora, M.; Järvi, J.; Oivanen, M.; Lönnberg, H. Hydrolytic Reactions of the Phosphorodithioate Analogue of Uridyly](3′,5′) uridine: Kinetics and Mechanisms for the Cleavage, Desulfurization, and Isomerization of the Internucleosidic Linkage. J. Org. Chem. 2000, 65, 2651-2657.
-
(2000)
J. Org. Chem.
, vol.65
, pp. 2651-2657
-
-
Ora, M.1
Järvi, J.2
Oivanen, M.3
Lönnberg, H.4
-
107
-
-
0001127361
-
Hydrolytic reactions of the diastereomeric phosphoromonothioate analogues of uridylyl(3′,5′)uridine: Kinetics and mechanisms for desulfurization, phosphoester hydrolysis, and transesterification to the 2′,5′-isomers
-
Oivanen, M.; Ora, M.; Almer, H.; Strömberg, R.; Lönnberg H. Hydrolytic reactions of the diastereomeric phosphoromonothioate analogues of uridylyl(3′,5′)uridine: kinetics and mechanisms for desulfurization, phosphoester hydrolysis, and transesterification to the 2′,5′- isomers. J. Org. Chem. 1995, 60, 5620-5627.
-
(1995)
J. Org. Chem.
, vol.60
, pp. 5620-5627
-
-
Oivanen, M.1
Ora, M.2
Almer, H.3
Strömberg, R.4
Lönnberg, H.5
-
108
-
-
0023927239
-
Synthesis and characterization of dinucleoside phosphorodithioates
-
Nielsen, J.; Brill, W. K.-D.; Caruthers, M. H. Synthesis and characterization of dinucleoside phosphorodithioates. Tetrahedron Lett. 1988, 29, 2911-2914.
-
(1988)
Tetrahedron Lett.
, vol.29
, pp. 2911-2914
-
-
Nielsen, J.1
Brill, W.K.-D.2
Caruthers, M.H.3
-
109
-
-
0025058932
-
Chemical synthesis of dimer ribonucleotides containing internucleotidic phosphorodithioate linkages
-
Petersen, K. H.; Nielsen, J. Chemical synthesis of dimer ribonucleotides containing internucleotidic phosphorodithioate linkages. Tetrahedron Lett. 1990, 31, 911-914.
-
(1990)
Tetrahedron Lett.
, vol.31
, pp. 911-914
-
-
Petersen, K.H.1
Nielsen, J.2
-
110
-
-
15544366274
-
Benchmark database of barrier heights for heavy atom transfer, nucleophilic substitution, association, and unimolecular reactions and its use to test theoretical methods
-
Zhao, Y.; Gonzalez-Garcia, N.; Truhlar, D. G. Benchmark Database of Barrier Heights for Heavy Atom Transfer, Nucleophilic Substitution, Association, and Unimolecular Reactions and Its Use to Test Theoretical Methods. J. Phys. Chem. A 2005, 109, 2012-2018.
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 2012-2018
-
-
Zhao, Y.1
Gonzalez-Garcia, N.2
Truhlar, D.G.3
-
111
-
-
0000997465
-
Calculations of activation entropies of chemical reactions in solution
-
Strajbl, M.; Sham, Y. Y.; Villa, J.; Chu, Z.-T.; Warshel, A. Calculations of Activation Entropies of Chemical Reactions in Solution. J. Phys. Chem. B 2000, 104, 4578-4584.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 4578-4584
-
-
Strajbl, M.1
Sham, Y.Y.2
Villa, J.3
Chu, Z.-T.4
Warshel, A.5
-
112
-
-
0034710867
-
How important are entropie contributions to enzyme catalysis
-
Villa, J.; Strajbi, M.; Glennon, T. M.; Sham, Y. Y.; Chu, Z. T.; Warshel, A. How important are entropie contributions to enzyme catalysis. Proc. Natl. Acad. Sci. U.S.A. 2000, 97, 11899-11904.
-
(2000)
Proc. Natl. Acad. Sci. U.S.A.
, vol.97
, pp. 11899-11904
-
-
Villa, J.1
Strajbi, M.2
Glennon, T.M.3
Sham, Y.Y.4
Chu, Z.T.5
Warshel, A.6
-
113
-
-
0034616816
-
Ab initio evaluation of the potential surface for general base-catalyzed methanolysis of formamide: A reference solution reaction for studies of serine proteases
-
Štrajbl, M.; Florian, J.; Warshel, A. Ab Initio Evaluation of the Potential Surface for General Base-Catalyzed Methanolysis of Formamide: A Reference Solution Reaction for Studies of Serine Proteases. J. Am. Chem. Soc. 2000, 122, 5354-5366.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 5354-5366
-
-
Štrajbl, M.1
Florian, J.2
Warshel, A.3
-
114
-
-
84962407693
-
Ab initio evaluation of the free energy surfaces for the general base/acid-catalyzed thiolysis of formamide and the hydrolysis of methyl thiolformate: A reference solution reaction for studies of cysteine proteases
-
Strajbl, M.; Florian, J.; Warshel, A. Ab Initio Evaluation of the Free Energy Surfaces for the General Base/Acid-Catalyzed Thiolysis of Formamide and the Hydrolysis of Methyl Thiolformate: A Reference Solution Reaction for Studies of Cysteine Proteases. J. Phys. Chem. B 2001, 105, 4471-4484.
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 4471-4484
-
-
Strajbl, M.1
Florian, J.2
Warshel, A.3
-
115
-
-
0342929614
-
Nonphysical sampling distributions in Monte Carlo free energy estimation: Umbrella sampling
-
Torrie, G. M.; Valleau, J. P. Nonphysical sampling distributions in Monte Carlo free energy estimation: Umbrella sampling. J. Comput. Phys. 1977, 23, 187-199.
-
(1977)
J. Comput. Phys.
, vol.23
, pp. 187-199
-
-
Torrie, G.M.1
Valleau, J.P.2
-
116
-
-
84986519238
-
The weighted histogram analysis method for free energy calculations on biomolecules 1: The method
-
Kumar, S.; Bouzida, D.; Swendsen, R.; Kollman, P.; Rosenberg, J. The weighted histogram analysis method for free energy calculations on biomolecules 1: The method. J. Comput. Chem. 1992, 13, 1011-1021.
-
(1992)
J. Comput. Chem.
, vol.13
, pp. 1011-1021
-
-
Kumar, S.1
Bouzida, D.2
Swendsen, R.3
Kollman, P.4
Rosenberg, J.5
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