-
1
-
-
33748591572
-
Enzymatic Mechanisms of Phosphate and Sulfate Transfer
-
Cleland, W. W., and Hengge, A. C. (2006) Enzymatic Mechanisms of Phosphate and Sulfate Transfer. Chem. Rev. 106, 3252-3278.
-
(2006)
Chem. Rev
, vol.106
, pp. 3252-3278
-
-
Cleland, W.W.1
Hengge, A.C.2
-
3
-
-
0033511228
-
Nucleoside triphosphate-binding proteins: Different scaffolds to achieve phosphoryl transfer
-
Vetter, I. R., and Wittinghofer, A. (1999) Nucleoside triphosphate-binding proteins: Different scaffolds to achieve phosphoryl transfer. Q. Rev. Biophys. 32, 1-56.
-
(1999)
Q. Rev. Biophys
, vol.32
, pp. 1-56
-
-
Vetter, I.R.1
Wittinghofer, A.2
-
4
-
-
0001323093
-
Monomeric metaphosphates
-
Westheimer, F. H. (1981) Monomeric metaphosphates. Chem. Rev. 81, 313-326.
-
(1981)
Chem. Rev
, vol.81
, pp. 313-326
-
-
Westheimer, F.H.1
-
5
-
-
0018657633
-
The role of metals in enzyme-catalyzed substitutions at each of the phosphorous atoms of ATP
-
Mildvan, A. S. (1979) The role of metals in enzyme-catalyzed substitutions at each of the phosphorous atoms of ATP. Adv. Enzymol. Relat. Areas Mol. Biol. 49, 103-126.
-
(1979)
Adv. Enzymol. Relat. Areas Mol. Biol
, vol.49
, pp. 103-126
-
-
Mildvan, A.S.1
-
6
-
-
11744329951
-
Mechanisms of nucleophilic substitution in phosphate esters
-
Cor, J. R., Jr., and Ramsey, O. B. (1964) Mechanisms of nucleophilic substitution in phosphate esters. Chem. Rev. 64, 317-352.
-
(1964)
Chem. Rev
, vol.64
, pp. 317-352
-
-
Cor Jr., J.R.1
Ramsey, O.B.2
-
7
-
-
34250773963
-
The role of metal ions in phosphate ester hydrolysis
-
Kamerun, S. C. L., and Wilkie, J. (2007) The role of metal ions in phosphate ester hydrolysis. Org. Biomol. Chem. 5, 2098-2108.
-
(2007)
Org. Biomol. Chem
, vol.5
, pp. 2098-2108
-
-
Kamerun, S.C.L.1
Wilkie, J.2
-
8
-
-
0007396478
-
Stereochemical, mechanistic and structural features of enzyme catalysed phosphate monoester hydrolysis
-
Gani, D., and Wilkie, J. (1995) Stereochemical, mechanistic and structural features of enzyme catalysed phosphate monoester hydrolysis. Chem. Soc. Rev. 24, 55-63.
-
(1995)
Chem. Soc. Rev
, vol.24
, pp. 55-63
-
-
Gani, D.1
Wilkie, J.2
-
9
-
-
0029117035
-
The nature of the transition state for enzyme-catalyzed phosphoryl transfer. Hydrolysis of Oraryl phosphorothioates by alkaline phosphatase
-
Hollfelder, F., and Herschlag, D. (1995) The nature of the transition state for enzyme-catalyzed phosphoryl transfer. Hydrolysis of Oraryl phosphorothioates by alkaline phosphatase. Biochemistry 34, 12255-12264.
-
(1995)
Biochemistry
, vol.34
, pp. 12255-12264
-
-
Hollfelder, F.1
Herschlag, D.2
-
10
-
-
33845198350
-
On the mechanism of hydrolysis of phosphate monoester dianions in solution and proteins
-
Klahn, M., Rosta, E., and Warshel, A. (2006) On the mechanism of hydrolysis of phosphate monoester dianions in solution and proteins. J. Am. Chem. Soc. 128, 15310-15323.
-
(2006)
J. Am. Chem. Soc
, vol.128
, pp. 15310-15323
-
-
Klahn, M.1
Rosta, E.2
Warshel, A.3
-
11
-
-
0030858487
-
A fundamental assumption about OH- attack in phosphate hydrolysis is not fully justified
-
Florian, J., and Warshel, A. (1997) A fundamental assumption about OH- attack in phosphate hydrolysis is not fully justified. J. Am. Chem. Soc. 119, 4458-4472.
-
(1997)
J. Am. Chem. Soc
, vol.119
, pp. 4458-4472
-
-
Florian, J.1
Warshel, A.2
-
12
-
-
0031646592
-
Phosphate ester hydrolysis in aqueous solution: Associative versus dissociative mechanisms
-
Florián, J., and Warshel, A. (1998) Phosphate ester hydrolysis in aqueous solution: Associative versus dissociative mechanisms. J. Phys. Chem. B 102, 719-734.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 719-734
-
-
Florián, J.1
Warshel, A.2
-
13
-
-
0000454137
-
Comparison of inline and non-inline associative and dissociative reaction pathways for model reactions of phosphate monoester hydrolysis
-
Wilkie, J., and Gani, D. (1996) Comparison of inline and non-inline associative and dissociative reaction pathways for model reactions of phosphate monoester hydrolysis. J. Chem. Soc., Perkin Trans. 2 2, 783-787.
-
(1996)
J. Chem. Soc., Perkin Trans. 2
, vol.2
, pp. 783-787
-
-
Wilkie, J.1
Gani, D.2
-
14
-
-
31944441501
-
Alkaline phosphatases mono- and diesterase reactions: Comparative transition state analysis
-
Zalatan, J. G., and Herschlag, D. (2006) Alkaline phosphatases mono- and diesterase reactions: Comparative transition state analysis. J. Am. Chem. Soc. 128, 1293-1303.
-
(2006)
J. Am. Chem. Soc
, vol.128
, pp. 1293-1303
-
-
Zalatan, J.G.1
Herschlag, D.2
-
15
-
-
34547805718
-
Kinetic Isotope Effects for Alkaline Phosphatase Reactions: Implications for the Role of Active-Site Metal Ions in Catalysis
-
Zalatan, J., Catrina, I., Mitchell, R., Grzyska, P., O'Brien, P., Herschlag, D., and Hengge, A. (2007) Kinetic Isotope Effects for Alkaline Phosphatase Reactions: Implications for the Role of Active-Site Metal Ions in Catalysis. J. Am. Chem. Soc. 129, 9789-9798.
-
(2007)
J. Am. Chem. Soc
, vol.129
, pp. 9789-9798
-
-
Zalatan, J.1
Catrina, I.2
Mitchell, R.3
Grzyska, P.4
O'Brien, P.5
Herschlag, D.6
Hengge, A.7
-
16
-
-
2942643930
-
Kinetic isotope effects in Ras-catalysed GTP hydrolysis: Evidence for a loose transition state
-
Du, X., Black, G. E., Lecchi, P., Abramson, F., and Sprang, S. R. (2004) Kinetic isotope effects in Ras-catalysed GTP hydrolysis: Evidence for a loose transition state. Proc. Natl. Acad. Sci. U.S.A. 101, 8858-8863.
-
(2004)
Proc. Natl. Acad. Sci. U.S.A
, vol.101
, pp. 8858-8863
-
-
Du, X.1
Black, G.E.2
Lecchi, P.3
Abramson, F.4
Sprang, S.R.5
-
18
-
-
33846103790
-
Monoalkyl sulfates as alkylating agents in water, alkylsulfatase rate enhancements and the "energy rich" nature of sulfate half-esters
-
Wolfenden, R., and Yuan, Y. (2006) Monoalkyl sulfates as alkylating agents in water, alkylsulfatase rate enhancements and the "energy rich" nature of sulfate half-esters. Proc. Natl. Acad. Sci. U.S.A. 104, 83-86.
-
(2006)
Proc. Natl. Acad. Sci. U.S.A
, vol.104
, pp. 83-86
-
-
Wolfenden, R.1
Yuan, Y.2
-
19
-
-
34250338776
-
Theoretical evaluation of the substrate-assisted catalysis mechanism for the hydrolysis of phosphate monoester dianions
-
Iché-Tarrat, N., Ruiz-Lopez, M., Barthelat, J.-C., and Vigroux, A. (2007) Theoretical evaluation of the substrate-assisted catalysis mechanism for the hydrolysis of phosphate monoester dianions. Chem-Eur. J. 13, 3617-3629.
-
(2007)
Chem-Eur. J
, vol.13
, pp. 3617-3629
-
-
Iché-Tarrat, N.1
Ruiz-Lopez, M.2
Barthelat, J.-C.3
Vigroux, A.4
-
20
-
-
0024522512
-
The mechanism of guanosine nucleotide hydrolysis by p21 c-Ha-ras. The stereochemical course of the GTPase reaction
-
Feuerstein, J., Goody, R. S., and Webb, M. R. (1989) The mechanism of guanosine nucleotide hydrolysis by p21 c-Ha-ras. The stereochemical course of the GTPase reaction. J. Biol. Chem. 264, 6188-6190.
-
(1989)
J. Biol. Chem
, vol.264
, pp. 6188-6190
-
-
Feuerstein, J.1
Goody, R.S.2
Webb, M.R.3
-
21
-
-
0026713142
-
On the mechanism of guanosine triphosphate hydrolysis in ras p21 proteins
-
Langen, R., Schweins, T., and Warshel, A. (1992) On the mechanism of guanosine triphosphate hydrolysis in ras p21 proteins. Biochemistry 31, 8691-8696.
-
(1992)
Biochemistry
, vol.31
, pp. 8691-8696
-
-
Langen, R.1
Schweins, T.2
Warshel, A.3
-
22
-
-
0028464366
-
Why have mutagenesis studies not located the general base in ras p21
-
Schweins, T., Langen, R., and Warshel, A. (1994) Why have mutagenesis studies not located the general base in ras p21. Nat. Struct. Biol. 1, 476-484.
-
(1994)
Nat. Struct. Biol
, vol.1
, pp. 476-484
-
-
Schweins, T.1
Langen, R.2
Warshel, A.3
-
23
-
-
0027405662
-
Probing the structure and mechanism of RAS protein with an expanded genetic code
-
Chung, H.-H., Benson, D. R., and Schultz, P. G. (1993) Probing the structure and mechanism of RAS protein with an expanded genetic code. Science 259, 806-809.
-
(1993)
Science
, vol.259
, pp. 806-809
-
-
Chung, H.-H.1
Benson, D.R.2
Schultz, P.G.3
-
24
-
-
0028925947
-
Substrate-assisted catalysis as a mechanism for GTP hydrolysis of p21ras and other GTP-binding proteins
-
Schweins, T., Geyer, M., Scheffzek, K., Warshel, A., Kalbitzer, H. R., and Wittinghofer, A. (1995) Substrate-assisted catalysis as a mechanism for GTP hydrolysis of p21ras and other GTP-binding proteins. Nat. Struct. Biol. 2, 36-44.
-
(1995)
Nat. Struct. Biol
, vol.2
, pp. 36-44
-
-
Schweins, T.1
Geyer, M.2
Scheffzek, K.3
Warshel, A.4
Kalbitzer, H.R.5
Wittinghofer, A.6
-
25
-
-
1442324695
-
Why does the Ras Switch "Break" By Oncogenic Mutations?
-
Shurki, A., and Warshel, A. (2004) Why does the Ras Switch "Break" By Oncogenic Mutations? Proteins 55, 1-10.
-
(2004)
Proteins
, vol.55
, pp. 1-10
-
-
Shurki, A.1
Warshel, A.2
-
26
-
-
0034663856
-
How does GAP catalyze the GTPase reaction of Ras? A computer simulation study
-
Glennon, T. M., Villa, J., and Warshel, A. (2000) How does GAP catalyze the GTPase reaction of Ras? A computer simulation study. Biochemistry 39, 9641-9651.
-
(2000)
Biochemistry
, vol.39
, pp. 9641-9651
-
-
Glennon, T.M.1
Villa, J.2
Warshel, A.3
-
27
-
-
0029825324
-
Linear free energy relationships in the intrinsic and GTPase activating protein-stimulated guanosine 5′-triphosphate hydrolysis of p21ras
-
Schweins, T., Geyer, M., Kalbitzer, H. R., Wittinghofer, A., and Warshel, A. (1996) Linear free energy relationships in the intrinsic and GTPase activating protein-stimulated guanosine 5′-triphosphate hydrolysis of p21ras. Biochemistry 35, 14225-14231.
-
(1996)
Biochemistry
, vol.35
, pp. 14225-14231
-
-
Schweins, T.1
Geyer, M.2
Kalbitzer, H.R.3
Wittinghofer, A.4
Warshel, A.5
-
28
-
-
0029410712
-
Mapping the transition state for ATP hydrolysis: Implications for enzymatic catalysis
-
Admiraal, S. J., and Herschlag, D. (1995) Mapping the transition state for ATP hydrolysis: Implications for enzymatic catalysis. Chem. Biol. 2, 729-739.
-
(1995)
Chem. Biol
, vol.2
, pp. 729-739
-
-
Admiraal, S.J.1
Herschlag, D.2
-
29
-
-
0041025108
-
The substrate-assisted general base catalysis model for phosphate monoester hydrolysis: Evaluation using reactivity comparisons
-
Admiraal, S. J., and Herschlag, D. (2000) The substrate-assisted general base catalysis model for phosphate monoester hydrolysis: Evaluation using reactivity comparisons. J. Am. Chem. Soc. 122, 2145-2148.
-
(2000)
J. Am. Chem. Soc
, vol.122
, pp. 2145-2148
-
-
Admiraal, S.J.1
Herschlag, D.2
-
30
-
-
0029781354
-
Rascatalyzed hydrolysis of GTP: A new perspective from model studies
-
Maegley, K. A., Admiraal, S. J., and Herschlag, D. (1996) Rascatalyzed hydrolysis of GTP: A new perspective from model studies. Proc. Natl. Acad. Sci. U.S.A. 93, 8160-8166.
-
(1996)
Proc. Natl. Acad. Sci. U.S.A
, vol.93
, pp. 8160-8166
-
-
Maegley, K.A.1
Admiraal, S.J.2
Herschlag, D.3
-
31
-
-
0029843561
-
Mechanistic analysis of the observed linear free energy relationships in p21ras and related systems
-
Schweins, T., and Warshel, A. (1996) Mechanistic analysis of the observed linear free energy relationships in p21ras and related systems. Biochemistry 35, 14232-14243.
-
(1996)
Biochemistry
, vol.35
, pp. 14232-14243
-
-
Schweins, T.1
Warshel, A.2
-
32
-
-
0028925947
-
Substrate-assisted catalysis as a mechanism for GTP hydrolysis of p21ras and other GTP-binding proteins
-
Schweins, T., Geyer, M., Scheffzek, K., Warshel, A., Kalbitzer, H. R., and Wittinghofer, A. (1995) Substrate-assisted catalysis as a mechanism for GTP hydrolysis of p21ras and other GTP-binding proteins. Nat. Struct. Biol. 2, 36-44.
-
(1995)
Nat. Struct. Biol
, vol.2
, pp. 36-44
-
-
Schweins, T.1
Geyer, M.2
Scheffzek, K.3
Warshel, A.4
Kalbitzer, H.R.5
Wittinghofer, A.6
-
34
-
-
0035997349
-
Eukaryotic DNA polymerases
-
Hübscher, U., Maga, G., and Spadari, S. (2002) Eukaryotic DNA polymerases. Annu. Rev. Biochem. 71, 133-163.
-
(2002)
Annu. Rev. Biochem
, vol.71
, pp. 133-163
-
-
Hübscher, U.1
Maga, G.2
Spadari, S.3
-
35
-
-
84961974064
-
Computer Simulation of the Chemical Catalysis of DNA Polymerases: Discriminating between Alternative Nucleotide Insertion Mechanisms for T7 DNA Polymerase
-
Florian, J., Goodman, M. F., and Warshel, A. (2003) Computer Simulation of the Chemical Catalysis of DNA Polymerases: Discriminating between Alternative Nucleotide Insertion Mechanisms for T7 DNA Polymerase. J. Am. Chem. Soc. 125, 8163-8177.
-
(2003)
J. Am. Chem. Soc
, vol.125
, pp. 8163-8177
-
-
Florian, J.1
Goodman, M.F.2
Warshel, A.3
-
36
-
-
18744402486
-
Computer Simulations of Protein Functions: Searching for the Molecular Origin of the Replication Fidelity of DNA Polymerases
-
Florián, J., Goodman, M. F., and Warshel, A. (2005) Computer Simulations of Protein Functions: Searching for the Molecular Origin of the Replication Fidelity of DNA Polymerases. Proc. Natl. Acad. Sci. U.S.A. 102, 6819-6824.
-
(2005)
Proc. Natl. Acad. Sci. U.S.A
, vol.102
, pp. 6819-6824
-
-
Florián, J.1
Goodman, M.F.2
Warshel, A.3
-
37
-
-
33745052090
-
Simulating the Effect of DNA Polymerase Mutations on Transition State Energetics and Fidelity: Evaluating Amino Acid Group Contributions and Allosteric Coupling for Ionized Reisudes in Human Pol β
-
Xiang, Y., Oelschlager, P., Florian, J., Goodman, M. F., and Warshel, A. (2006) Simulating the Effect of DNA Polymerase Mutations on Transition State Energetics and Fidelity: Evaluating Amino Acid Group Contributions and Allosteric Coupling for Ionized Reisudes in Human Pol β. Biochemistry 45, 7036-7048.
-
(2006)
Biochemistry
, vol.45
, pp. 7036-7048
-
-
Xiang, Y.1
Oelschlager, P.2
Florian, J.3
Goodman, M.F.4
Warshel, A.5
-
38
-
-
0035826622
-
Insight into the Catalytic Mechanism of DNA Polymerase β: Structures of Intermediate Complexes
-
Arndt, J. W., Gong, W., Xuejon, Z., Showalter, A. K., Liu, J., Dunlap, C. A., Lin, Z., Paxson, C., Tsai, M.-D., and Chan, M. K. (2001) Insight into the Catalytic Mechanism of DNA Polymerase β: Structures of Intermediate Complexes. Biochemistry 40, 5368-5375.
-
(2001)
Biochemistry
, vol.40
, pp. 5368-5375
-
-
Arndt, J.W.1
Gong, W.2
Xuejon, Z.3
Showalter, A.K.4
Liu, J.5
Dunlap, C.A.6
Lin, Z.7
Paxson, C.8
Tsai, M.-D.9
Chan, M.K.10
-
39
-
-
33748620054
-
Energy Analysis of Chemistry for correct insertion by DNA polymerase β
-
Lin, P., Pedersen, L. C., Batra, V. K., Beard, W. A., Wilson, S. H., and Pedersen, L. G. (2006) Energy Analysis of Chemistry for correct insertion by DNA polymerase β. Proc. Natl. Acad. Sci. U.S.A. 103, 13294-13299.
-
(2006)
Proc. Natl. Acad. Sci. U.S.A
, vol.103
, pp. 13294-13299
-
-
Lin, P.1
Pedersen, L.C.2
Batra, V.K.3
Beard, W.A.4
Wilson, S.H.5
Pedersen, L.G.6
-
40
-
-
34247549227
-
A Water-Mediated and Substrate-Assisted Catalytic Mechanism for Sulfolobus solfataricus and DNA Polymerase IV
-
Wang, L., Yu, X., Hu, P., Broyde, S., and Zhang, Y. (2007) A Water-Mediated and Substrate-Assisted Catalytic Mechanism for Sulfolobus solfataricus and DNA Polymerase IV. J. Am. Chem. Soc. 129, 4731-4737.
-
(2007)
J. Am. Chem. Soc
, vol.129
, pp. 4731-4737
-
-
Wang, L.1
Yu, X.2
Hu, P.3
Broyde, S.4
Zhang, Y.5
-
41
-
-
0028049441
-
Structures of Ternary Complexes of Rat DNA Polymerase β, a DNA Template-Primer and ddCTP
-
Petellier, H., Sawaya, M. R., Kumar, A., Wilson, S. H., and Kraut, J. (1994) Structures of Ternary Complexes of Rat DNA Polymerase β, a DNA Template-Primer and ddCTP. Science 264, 1891-1903.
-
(1994)
Science
, vol.264
, pp. 1891-1903
-
-
Petellier, H.1
Sawaya, M.R.2
Kumar, A.3
Wilson, S.H.4
Kraut, J.5
-
42
-
-
0026773209
-
Structure and Mechanism of Alkaline Phosphatase
-
Coleman, J. E. (1992) Structure and Mechanism of Alkaline Phosphatase. Annu. Rev. Biophys. Biomol. Struct. 21, 441-483.
-
(1992)
Annu. Rev. Biophys. Biomol. Struct
, vol.21
, pp. 441-483
-
-
Coleman, J.E.1
-
43
-
-
0035873714
-
Functional interrelationships in the alkaline phosphatase superfamily: Phosphodiesterase activity of E. coli alkaline phosphatase
-
O'Brien, P. J., and Herschlag, D. (2001) Functional interrelationships in the alkaline phosphatase superfamily: Phosphodiesterase activity of E. coli alkaline phosphatase. Biochemistry 40, 5691-5699.
-
(2001)
Biochemistry
, vol.40
, pp. 5691-5699
-
-
O'Brien, P.J.1
Herschlag, D.2
-
44
-
-
0032461412
-
A superfamily of metalloenzymes unifies phosphopentomutase and cofactor-independent phosphoglycerate mutase with alkaline phosphatases and sulfatases
-
Galperin, M. Y., Bairoch, A., and Koonin, E. V. (1998) A superfamily of metalloenzymes unifies phosphopentomutase and cofactor-independent phosphoglycerate mutase with alkaline phosphatases and sulfatases. Protein Sci. 7, 1829-1835.
-
(1998)
Protein Sci
, vol.7
, pp. 1829-1835
-
-
Galperin, M.Y.1
Bairoch, A.2
Koonin, E.V.3
-
45
-
-
0035576329
-
Conserved core structure and active site residues in alkaline phosphatase superfamily enzymes
-
Galperin, M. Y., and Jedrzejas, M. J. (2001) Conserved core structure and active site residues in alkaline phosphatase superfamily enzymes. Proteins 45, 318-324.
-
(2001)
Proteins
, vol.45
, pp. 318-324
-
-
Galperin, M.Y.1
Jedrzejas, M.J.2
-
46
-
-
0035847049
-
Structural and catalytic similarities between nucleotide pyrophosphatases/ phosphodiesterases and alkaline phosphatases
-
Gijsberg, R., Ceulemans, H., Stalmans, W., and Bollen, M. (2001) Structural and catalytic similarities between nucleotide pyrophosphatases/ phosphodiesterases and alkaline phosphatases. J. Biol. Chem. 276, 1361-1368.
-
(2001)
J. Biol. Chem
, vol.276
, pp. 1361-1368
-
-
Gijsberg, R.1
Ceulemans, H.2
Stalmans, W.3
Bollen, M.4
-
49
-
-
0033102133
-
Mechanistic alternatives in phosphate monoester hydrolysis: What conclusions can be drawn from available experimental data?
-
Aqvist, J., Kolmodin, K., Florian, J., and Warshel, A. (1999) Mechanistic alternatives in phosphate monoester hydrolysis: What conclusions can be drawn from available experimental data? Chem. Biol. 6, R71-R80.
-
(1999)
Chem. Biol
, vol.6
-
-
Aqvist, J.1
Kolmodin, K.2
Florian, J.3
Warshel, A.4
-
50
-
-
0032508930
-
On the reactivity of phosphate monoester dianions in aqueous solution: Bronsted linear free-energy relationships do not have a unique mechanistic interpretation
-
Florian, J., Aqvist, J., and Warshel, A. (1998) On the reactivity of phosphate monoester dianions in aqueous solution: Bronsted linear free-energy relationships do not have a unique mechanistic interpretation. J. Am. Chem. Soc. 120, 11524-11525.
-
(1998)
J. Am. Chem. Soc
, vol.120
, pp. 11524-11525
-
-
Florian, J.1
Aqvist, J.2
Warshel, A.3
-
51
-
-
3042520570
-
A primer for the bema hapothle. An empirical approach to the characterization of changing transition-state structures
-
Jencks, W. P. (1985) A primer for the bema hapothle. An empirical approach to the characterization of changing transition-state structures. Chem. Rev. 85, 511-527.
-
(1985)
Chem. Rev
, vol.85
, pp. 511-527
-
-
Jencks, W.P.1
-
52
-
-
1542331187
-
Relationships between E2 and ElcB mechanisms of β-elimination
-
More O'Ferrall, R. A. (1970) Relationships between E2 and ElcB mechanisms of β-elimination. J. Chem. Soc. B, 274-277.
-
(1970)
J. Chem. Soc. B
, pp. 274-277
-
-
More O'Ferrall, R.A.1
-
53
-
-
0024827420
-
Effective charge distrtibution for attack of phenoxide ion on aryl methyl phosphate monoanion: Studies related to the action of ribonuclease
-
Ba-Saif, S. A., Davis, A. M., and Williams, A. J. (1989) Effective charge distrtibution for attack of phenoxide ion on aryl methyl phosphate monoanion: Studies related to the action of ribonuclease. J. Org. Chem. 54, 5483-5486.
-
(1989)
J. Org. Chem
, vol.54
, pp. 5483-5486
-
-
Ba-Saif, S.A.1
Davis, A.M.2
Williams, A.J.3
-
54
-
-
33845184717
-
Phosphoryl transfer to anionic oxygen nucleophiles. Nature of the transition state and electrostatic repulsion
-
Herschlag, D., and Jencks, W. (1989) Phosphoryl transfer to anionic oxygen nucleophiles. Nature of the transition state and electrostatic repulsion. J. Am. Chem. Soc. 111, 7587-7596.
-
(1989)
J. Am. Chem. Soc
, vol.111
, pp. 7587-7596
-
-
Herschlag, D.1
Jencks, W.2
-
55
-
-
0032547320
-
Reactivity of phosphate diesters doubly coordinated to a dinuclear cobalt(III) complex: Dependence of the reactivity on the basicity of the leaving group
-
Williams, N. H., Cheung, J., and Chin, J. (1998) Reactivity of phosphate diesters doubly coordinated to a dinuclear cobalt(III) complex: Dependence of the reactivity on the basicity of the leaving group. J. Am. Chem. Soc. 120, 8079-8087.
-
(1998)
J. Am. Chem. Soc
, vol.120
, pp. 8079-8087
-
-
Williams, N.H.1
Cheung, J.2
Chin, J.3
-
56
-
-
34249318721
-
Supermolecule density functional calculations suggest a key role for solvent in alkaline hydrolysis of p-nitrophenyl phosphate
-
Zhang, L., Xie, D., Xu, D., and Guo, H. (2007) Supermolecule density functional calculations suggest a key role for solvent in alkaline hydrolysis of p-nitrophenyl phosphate. Chem. Commun., 1638-1640.
-
(2007)
Chem. Commun
, pp. 1638-1640
-
-
Zhang, L.1
Xie, D.2
Xu, D.3
Guo, H.4
-
57
-
-
11544373758
-
The hydrolysis of RNA: From theoretical calculations to the hammerhead ribozyme mediated cleavage of RNA
-
Zhou, D.-M., and Taira, K. (1998) The hydrolysis of RNA: From theoretical calculations to the hammerhead ribozyme mediated cleavage of RNA. Chem. Rev. 98, 991-1026.
-
(1998)
Chem. Rev
, vol.98
, pp. 991-1026
-
-
Zhou, D.-M.1
Taira, K.2
-
58
-
-
0001701066
-
Phosphate ester hydrolysis: Calculation of gas-phase reaction paths and solvation effects
-
Dejaegere, A., Liang, X., and Karplus, M. (1994) Phosphate ester hydrolysis: Calculation of gas-phase reaction paths and solvation effects. J. Chem. Soc., Faraday Trans. 90, 1763-1770.
-
(1994)
J. Chem. Soc., Faraday Trans
, vol.90
, pp. 1763-1770
-
-
Dejaegere, A.1
Liang, X.2
Karplus, M.3
-
59
-
-
33645212804
-
The time required for water attack at the phosphorus atom of simple phosphodiesters and of DNA
-
Schroeder, G. K., Lad, C., Wyman, P., Williams, N. H., and Wolfenden, R. (2006) The time required for water attack at the phosphorus atom of simple phosphodiesters and of DNA. Proc. Natl. Acad. Sci. U.S.A. 103, 4052-4055.
-
(2006)
Proc. Natl. Acad. Sci. U.S.A
, vol.103
, pp. 4052-4055
-
-
Schroeder, G.K.1
Lad, C.2
Wyman, P.3
Williams, N.H.4
Wolfenden, R.5
-
60
-
-
0031646592
-
Phosphate ester hydrolysis in aqueous solution: Associative versus dissociative mechanisms
-
Florian, J., and Warshel, A. (1998) Phosphate ester hydrolysis in aqueous solution: Associative versus dissociative mechanisms. J. Phys. Chem. B 102, 719-734.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 719-734
-
-
Florian, J.1
Warshel, A.2
-
61
-
-
0032495626
-
Identification and treatment of internal rotation in normal mode vibrational analysis
-
Philippe, Y. A., and Schlegel, H. B. (1998) Identification and treatment of internal rotation in normal mode vibrational analysis. J. Chem. Phys. 108, 2314-2325.
-
(1998)
J. Chem. Phys
, vol.108
, pp. 2314-2325
-
-
Philippe, Y.A.1
Schlegel, H.B.2
-
62
-
-
84961976175
-
Theoretical studies of the hydroxide-catalyzed P-O cleavage reactions of neutral phosphate triesters and diesters in aqeuous solution: Examination of the changes induced by H/Me substitution
-
Iché-Tarrat, N., Barthelat, J.-C., Rinaldi, D., and Vigroux, A. (2005) Theoretical studies of the hydroxide-catalyzed P-O cleavage reactions of neutral phosphate triesters and diesters in aqeuous solution: Examination of the changes induced by H/Me substitution. J. Phys. Chem. B 109, 22570-22580.
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 22570-22580
-
-
Iché-Tarrat, N.1
Barthelat, J.-C.2
Rinaldi, D.3
Vigroux, A.4
-
64
-
-
0000997465
-
Calculation of activation entropies of chemical reactions in solution
-
Strajbl, M., Sham, Y. Y., Villa, J., Chu, Z. T., and Warshel, A. (2000) Calculation of activation entropies of chemical reactions in solution. J. Phys. Chem. B 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
-
65
-
-
0034710867
-
How important are entropic contributions to enzyme catalysis?
-
Villa, J., Strajbl, M., Glennon, T. M., Sham, Y. Y., Chu, Z. T., and Warshel, A. (2000) How important are entropic contributions to enzyme catalysis? Proc. Natl. Acad. Sci. U.S.A. 97, 11899-11904.
-
(2000)
Proc. Natl. Acad. Sci. U.S.A
, vol.97
, pp. 11899-11904
-
-
Villa, J.1
Strajbl, M.2
Glennon, T.M.3
Sham, Y.Y.4
Chu, Z.T.5
Warshel, A.6
-
66
-
-
23944472625
-
What are the roles of substrate assisted catalysis and proximity effects in peptide bond formation by the ribosome?
-
Sharma, P. K., Xiang, Y., Kato, M., and Warshel, A. (2005) What are the roles of substrate assisted catalysis and proximity effects in peptide bond formation by the ribosome? Biochemistry 44, 11307-11314.
-
(2005)
Biochemistry
, vol.44
, pp. 11307-11314
-
-
Sharma, P.K.1
Xiang, Y.2
Kato, M.3
Warshel, A.4
-
67
-
-
0031209054
-
A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics
-
Cancès, M. T., Mennucci, B., and Tomasi, J. (1997) A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics. J. Chem. Phys. 107, 3032-3041.
-
(1997)
J. Chem. Phys
, vol.107
, pp. 3032-3041
-
-
Cancès, M.T.1
Mennucci, B.2
Tomasi, J.3
-
68
-
-
84961986752
-
New developments in the polarizable continuum model for quantum mechanical and classical calculations on molecules in solution
-
Cossi, M., Scalmani, G., Rega, N., and Barone, V. (2002) New developments in the polarizable continuum model for quantum mechanical and classical calculations on molecules in solution. J. Chem. Phys. 117, 43-54.
-
(2002)
J. Chem. Phys
, vol.117
, pp. 43-54
-
-
Cossi, M.1
Scalmani, G.2
Rega, N.3
Barone, V.4
-
69
-
-
84961979198
-
Continuum solvation models: A new approach to the problem of solute's charge distribution and cavity boundaries
-
Mennucci, B., and Tomasi, J. (1997) Continuum solvation models: A new approach to the problem of solute's charge distribution and cavity boundaries. J. Chem. Phys. 106, 5151-5158.
-
(1997)
J. Chem. Phys
, vol.106
, pp. 5151-5158
-
-
Mennucci, B.1
Tomasi, J.2
-
70
-
-
84962428823
-
The IEF version of the PCM solvation method: An overview of a new method addressed to study molecular solutes at the QM ab initio level
-
Tomasi, J., Mennucci, B., and Cancès, M. T. (1991) The IEF version of the PCM solvation method: An overview of a new method addressed to study molecular solutes at the QM ab initio level. THEOCHEM 464, 211-226.
-
(1991)
THEOCHEM 464
, pp. 211-226
-
-
Tomasi, J.1
Mennucci, B.2
Cancès, M.T.3
-
71
-
-
41149175374
-
-
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, M, Hada, M, Ehara, K, Toyota, R, Fukuda, J, Hasegawa, M, Ishida, T, Nakajima, Y, Honda, Y, Kitao, O, Nakai, H, Klene, M, Li, X, Knox, J. E, Hratchian, H. P, Cross, J. B, Adacmo, C, Jaramillo, J, Gomperts, R, Stratmann, R. E, Yazyev, O, Austin, A. J, Cammi, R, Pomelli, C, Ochterski, J, 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, Ö, Malick, D. K, Rabuck, A. D, Clifford, K, Cioslowki, 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
-
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, M., Hada, M., Ehara, K., Toyota, R., Fukuda, J., Hasegawa, M., Ishida, T., Nakajima, Y., Honda, Y., Kitao, O., Nakai, H., Klene, M., Li, X., Knox, J. E., Hratchian, H. P., Cross, J. B., Adacmo, C., Jaramillo, J., Gomperts, R., Stratmann, R. E., Yazyev, O., Austin, A. J., Cammi, R., Pomelli, C., Ochterski, J., 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, Ö., Malick, D. K., Rabuck, A. D., Clifford, K., Cioslowki, 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. G., Chen, W., Wong, M. W., Gonzalez, C., and Pople, J. A. (2004)Gaussian03, revision C.02,Gaussian, Inc., Pittsburgh, PA.
-
-
-
-
72
-
-
0000189651
-
Density-functional thermochemistry. III. The role of exact exchange
-
Becke, A. D. (1993) Density-functional thermochemistry. III. The role of exact exchange. J. Chem. Phys. 98, 5648-5652.
-
(1993)
J. Chem. Phys
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
73
-
-
84961985847
-
Quantum calculation of molecular energies and energy gradients in solution by a conductor solvent model
-
Barone, V., and Cossi, M. (1998) Quantum calculation of molecular energies and energy gradients in solution by a conductor solvent model. J. Phys. Chem. A 102, 1995-2001.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 1995-2001
-
-
Barone, V.1
Cossi, M.2
-
74
-
-
84961980743
-
COSMO: A new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
-
Klamt, A., and Schüürmann, G. J. (1993) 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 5, 799-805.
-
(1993)
J. Chem. Soc., Perkin Trans. 2
, vol.5
, pp. 799-805
-
-
Klamt, A.1
Schüürmann, G.J.2
-
75
-
-
0000346433
-
Theoretical studies of the hydrolysis of the methyl phosphate anion
-
Hu, C.-H., and Brinck, T. (1999) Theoretical studies of the hydrolysis of the methyl phosphate anion. J. Phys. Chem. A 103, 5379-5386.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 5379-5386
-
-
Hu, C.-H.1
Brinck, T.2
-
76
-
-
0034663856
-
How does GAP catalyse the GTPase reaction of Ras? A computer simulation study
-
Glennon, T. M., Villa, J., and Warshel, A. (2000) How does GAP catalyse the GTPase reaction of Ras? A computer simulation study. Biochemistry 39, 9641-9651.
-
(2000)
Biochemistry
, vol.39
, pp. 9641-9651
-
-
Glennon, T.M.1
Villa, J.2
Warshel, A.3
-
77
-
-
0002077637
-
Geometry optimization by DIIS
-
Csaszar, P., and Pulay, P. (1984) Geometry optimization by DIIS. THEOCHEM 114, 31-34.
-
(1984)
THEOCHEM 114
, pp. 31-34
-
-
Csaszar, P.1
Pulay, P.2
-
78
-
-
0001039063
-
Methods for optimizing large molecules. II. Quadratic search
-
Farkas, Ö., and Schlegel, H. B. (1999) Methods for optimizing large molecules. II. Quadratic search. J. Chem. Phys. 111, 10806-10814.
-
(1999)
J. Chem. Phys
, vol.111
, pp. 10806-10814
-
-
Farkas, O.1
Schlegel, H.B.2
-
79
-
-
0031553301
-
Evaluation of solvent effects in isotropic and anisotropic dielectrics and in ionic solutions with a unified integral equation method: Theoretical bases, computational implementation, and numerical applications
-
Mennucci, B., Cancès, M. T., and Tomasi, J. (1997) Evaluation of solvent effects in isotropic and anisotropic dielectrics and in ionic solutions with a unified integral equation method: Theoretical bases, computational implementation, and numerical applications. J. Phys. Chem. B 101, 10506-10517.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 10506-10517
-
-
Mennucci, B.1
Cancès, M.T.2
Tomasi, J.3
-
80
-
-
0036144974
-
Methods for optimizing large molecules
-
Farkas, Ö., and Schlegel, H. B. (2002) Methods for optimizing large molecules. Phys. Chem. Chem. Phys. 4, 11-15.
-
(2002)
Phys. Chem. Chem. Phys
, vol.4
, pp. 11-15
-
-
Farkas, O.1
Schlegel, H.B.2
-
81
-
-
30244527819
-
How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers?
-
Simon, S., Duran, M., and Dannenberg, J. J. (1996) How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers? J. Chem. Phys. 105, 11024-11031.
-
(1996)
J. Chem. Phys
, vol.105
, pp. 11024-11031
-
-
Simon, S.1
Duran, M.2
Dannenberg, J.J.3
-
82
-
-
84890021933
-
The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
-
Boys, S. F., and Bernardi, F. (1970) The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors. Mol. Phys. 19, 553-566.
-
(1970)
Mol. Phys
, vol.19
, pp. 553-566
-
-
Boys, S.F.1
Bernardi, F.2
-
83
-
-
0036895114
-
Lattice Dynamics of Solid Cubane within the Quasiharmonic Approximation
-
Yildirim, T. (2002) Lattice Dynamics of Solid Cubane within the Quasiharmonic Approximation. Solid State Commun. 124, 449-455.
-
(2002)
Solid State Commun
, vol.124
, pp. 449-455
-
-
Yildirim, T.1
-
84
-
-
0000067877
-
Quasiharmonic Lattice-Dynamics and Molecular Dynamics Calculations for the Lennard-Jones Solids
-
Della Valle, R. G., and Venuti, E. (1998) Quasiharmonic Lattice-Dynamics and Molecular Dynamics Calculations for the Lennard-Jones Solids. Phys. Rev. B 58, 206-212.
-
(1998)
Phys. Rev. B
, vol.58
, pp. 206-212
-
-
Della Valle, R.G.1
Venuti, E.2
-
85
-
-
0034654462
-
Ionic solids at elevated temperatures and/or high pressures: Lattice dynamics, molecular dynamics, Monte Carlo and ab initio studies
-
Allana, N. L., Barrerab, G. D., Purtonc, J. A., Simsa, C. E., and Taylora, M. B. (2000) Ionic solids at elevated temperatures and/or high pressures: Lattice dynamics, molecular dynamics, Monte Carlo and ab initio studies. Phys. Chem. Chem. Phys. 2, 1099-1111.
-
(2000)
Phys. Chem. Chem. Phys
, vol.2
, pp. 1099-1111
-
-
Allana, N.L.1
Barrerab, G.D.2
Purtonc, J.A.3
Simsa, C.E.4
Taylora, M.B.5
-
86
-
-
0000980795
-
Quasi-harmonic method for calculating vibrational spectra from classical simulations on multi-dimensional anharmonic potential surfaces
-
Levy, R., Rojas, O. L., and Friesner, R. A. (1984) Quasi-harmonic method for calculating vibrational spectra from classical simulations on multi-dimensional anharmonic potential surfaces. J. Phys. Chem. 88, 4233-4238.
-
(1984)
J. Phys. Chem
, vol.88
, pp. 4233-4238
-
-
Levy, R.1
Rojas, O.L.2
Friesner, R.A.3
-
87
-
-
0000127140
-
Method for estimating the configurational entropy of macromolecules
-
Karplus, M., and Kuschick, J. N. (1981) Method for estimating the configurational entropy of macromolecules. Macromolecules 14, 325-332.
-
(1981)
Macromolecules
, vol.14
, pp. 325-332
-
-
Karplus, M.1
Kuschick, J.N.2
-
88
-
-
0011146589
-
Corrections to the quasiharmonic approximation for evaluating molecular entropies
-
Rojas, O. L., Levy, R. M., and Szabo, A. (1986) Corrections to the quasiharmonic approximation for evaluating molecular entropies. J. Chem. Phys. 85, 1037-1043.
-
(1986)
J. Chem. Phys
, vol.85
, pp. 1037-1043
-
-
Rojas, O.L.1
Levy, R.M.2
Szabo, A.3
-
89
-
-
0000961995
-
Evaluation of the configurational entropy for proteins: Application to molecular dynamics simulations of an α-helix
-
Levy, R., Karplus, M., Kuschisk, J., and Perahia, D. (1984) Evaluation of the configurational entropy for proteins: Application to molecular dynamics simulations of an α-helix. Macromolecules 17, 1370-1374.
-
(1984)
Macromolecules
, vol.17
, pp. 1370-1374
-
-
Levy, R.1
Karplus, M.2
Kuschisk, J.3
Perahia, D.4
-
90
-
-
0036677555
-
On the calculation of absolute macromolecular binding free energies
-
Luo, H., and Sharp, K. (2002) On the calculation of absolute macromolecular binding free energies. Proc. Natl. Acad. Sci. U.S.A. 99, 10399-10404.
-
(2002)
Proc. Natl. Acad. Sci. U.S.A
, vol.99
, pp. 10399-10404
-
-
Luo, H.1
Sharp, K.2
-
91
-
-
0347949637
-
Revisiting free energy calculations: A theoretical connection to MM/PBSA and direct calculation of the association free energy
-
Swanson, J. M. J., Henchman, R. H., and McCammon, J. A. I. (2004) Revisiting free energy calculations: A theoretical connection to MM/PBSA and direct calculation of the association free energy. Biophys. J. 86, 67-74.
-
(2004)
Biophys. J
, vol.86
, pp. 67-74
-
-
Swanson, J.M.J.1
Henchman, R.H.2
McCammon, J.A.I.3
-
92
-
-
25844492293
-
Evaluating the accuracy of the quasiharmonic approximation
-
Change, C.-E., Chen, W., and Gilson, M. K. (2005) Evaluating the accuracy of the quasiharmonic approximation. J. Chem. Theory Comput. 1, 1017-1028.
-
(2005)
J. Chem. Theory Comput
, vol.1
, pp. 1017-1028
-
-
Change, C.-E.1
Chen, W.2
Gilson, M.K.3
-
93
-
-
0030887944
-
Inclusion of Loss of Translational and Rotational Freedom in Theoretical Estimates of Free Energies of Binding. Application to a Complex of Benzene and Mutant T4 Lysozyme
-
Hermans, J., and Wang, L. (1997) Inclusion of Loss of Translational and Rotational Freedom in Theoretical Estimates of Free Energies of Binding. Application to a Complex of Benzene and Mutant T4 Lysozyme. J. Am. Chem. Soc. 119, 2707-2714.
-
(1997)
J. Am. Chem. Soc
, vol.119
, pp. 2707-2714
-
-
Hermans, J.1
Wang, L.2
-
94
-
-
0000728542
-
Microscopic and semimicroscopic calculations of electrostatic energies in proteins by the POLARIS and ENZYMIX Programs
-
Lee, F. S., Chu, Z. T., and Warshel, A. (1993) Microscopic and semimicroscopic calculations of electrostatic energies in proteins by the POLARIS and ENZYMIX Programs. J. Comput. Chem. 14, 161-185.
-
(1993)
J. Comput. Chem
, vol.14
, pp. 161-185
-
-
Lee, F.S.1
Chu, Z.T.2
Warshel, A.3
-
95
-
-
0342321950
-
Examining methods for calculations of electrostatic energies in proteins by the POLARIS and ENZYMIX Programs
-
Sham, Y. Y., Chu, Z. T., Tao, H., and Warshel, A. (2000) Examining methods for calculations of electrostatic energies in proteins by the POLARIS and ENZYMIX Programs. Proteins: Struct., Funct., Genet. 39, 393-407.
-
(2000)
Proteins: Struct., Funct., Genet
, vol.39
, pp. 393-407
-
-
Sham, Y.Y.1
Chu, Z.T.2
Tao, H.3
Warshel, A.4
-
96
-
-
0034622591
-
General acid-base catalysis of complex reactions in water
-
Holtz, K. M., Cartrine, I. E., Hengge, A. C., and Kantrowitz, E. (2000) General acid-base catalysis of complex reactions in water. Biochemistry 39, 9451-9458.
-
(2000)
Biochemistry
, vol.39
, pp. 9451-9458
-
-
Holtz, K.M.1
Cartrine, I.E.2
Hengge, A.C.3
Kantrowitz, E.4
-
97
-
-
4644314829
-
Do electrostatic interactions with positively charged active site groups tighten the transition state for enzymatic phosphoryl transfer?
-
Nikolic-Hughes, I., Rees, D. C., and Herschlag, D. (2004) Do electrostatic interactions with positively charged active site groups tighten the transition state for enzymatic phosphoryl transfer? J. Am. Chem. Soc. 126, 11814-11819.
-
(2004)
J. Am. Chem. Soc
, vol.126
, pp. 11814-11819
-
-
Nikolic-Hughes, I.1
Rees, D.C.2
Herschlag, D.3
-
98
-
-
37049055088
-
The reactions of organic phosphates. Part V. The hydrolysis of triphenyl and trimethyl phosphates
-
Barnard, P. W. C., Bunton, C. A., Llewellyn, D. R., Vernon, C. A., and Welch, C. A. (1961) The reactions of organic phosphates. Part V. The hydrolysis of triphenyl and trimethyl phosphates. J. Chem. Soc., 2670-2676.
-
(1961)
J. Chem. Soc
, pp. 2670-2676
-
-
Barnard, P.W.C.1
Bunton, C.A.2
Llewellyn, D.R.3
Vernon, C.A.4
Welch, C.A.5
-
99
-
-
33748336069
-
Transition state analogues for nucleotidyl transfer reactions: Structure and stability of pentavalent vanadate and phosphate ester dianions
-
Borden, J., Crans, D. C., and Florian, J. (2006) Transition state analogues for nucleotidyl transfer reactions: Structure and stability of pentavalent vanadate and phosphate ester dianions. J. Phys. Chem. B 110, 14988-14999.
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 14988-14999
-
-
Borden, J.1
Crans, D.C.2
Florian, J.3
-
100
-
-
0000288714
-
Parameters for the description of transition states
-
Leffler, J. E. (1953) Parameters for the description of transition states. Science 117, 340-341.
-
(1953)
Science
, vol.117
, pp. 340-341
-
-
Leffler, J.E.1
-
101
-
-
0001191611
-
Effective charge and Leffler's index as mechanistic tools for reactions in solution
-
Williams, A. (1984) Effective charge and Leffler's index as mechanistic tools for reactions in solution. Acc. Chem. Res. 17, 425-430.
-
(1984)
Acc. Chem. Res
, vol.17
, pp. 425-430
-
-
Williams, A.1
-
102
-
-
0027935984
-
Structural analysis of inositol monophosphatase complexes with substrates
-
Bone, R., Frank, L., Springer, J. P., Pollack, S. J., Osborne, S. A., Atack, J. R., Knowles, M. R., McAllister, G., Ragan, C. I., Broughton, H. B., Baker, R., and Fletcher, S. R. (1994) Structural analysis of inositol monophosphatase complexes with substrates. Biochemistry 33, 9460-9467.
-
(1994)
Biochemistry
, vol.33
, pp. 9460-9467
-
-
Bone, R.1
Frank, L.2
Springer, J.P.3
Pollack, S.J.4
Osborne, S.A.5
Atack, J.R.6
Knowles, M.R.7
McAllister, G.8
Ragan, C.I.9
Broughton, H.B.10
Baker, R.11
Fletcher, S.R.12
-
103
-
-
41149114467
-
Crystal structure of the catalytic subunit of human protein phosphatase 1 and its complex with tungstate
-
Egloff, M.-P., Cohen, P. T. W., Reinemer, P., and Barford, D. (1995) Crystal structure of the catalytic subunit of human protein phosphatase 1 and its complex with tungstate. J. Mol. Biol. 218, 449-464.
-
(1995)
J. Mol. Biol
, vol.218
, pp. 449-464
-
-
Egloff, M.-P.1
Cohen, P.T.W.2
Reinemer, P.3
Barford, D.4
-
104
-
-
0002637653
-
Metal ions in the mechanism of enzyme-catalysed enzyme phosphate monoester hydrolysis
-
Gani, D., and Wilkie, J. (1997) Metal ions in the mechanism of enzyme-catalysed enzyme phosphate monoester hydrolysis. Struct. Bonding 89, 133-175.
-
(1997)
Struct. Bonding
, vol.89
, pp. 133-175
-
-
Gani, D.1
Wilkie, J.2
-
105
-
-
0025777694
-
Reaction mechanism of alkaline phosphatase based on crystal structures. Two metal ion catalysis
-
Kim, E. E., and Wyckoff, H. W. (1991) Reaction mechanism of alkaline phosphatase based on crystal structures. Two metal ion catalysis. J. Mol. Biol. 218, 449-464.
-
(1991)
J. Mol. Biol
, vol.218
, pp. 449-464
-
-
Kim, E.E.1
Wyckoff, H.W.2
-
106
-
-
0033954256
-
The protein data bank
-
Berman, H. M., Westbrook, J., Feng, Z., Gilliland, G., Bhat, T. N., Weissig, H., Shindyalov, I. N., and Bourne, P. E. (2000) The protein data bank. Nucleic Acids Res. 28, 235-242.
-
(2000)
Nucleic Acids Res
, vol.28
, pp. 235-242
-
-
Berman, H.M.1
Westbrook, J.2
Feng, Z.3
Gilliland, G.4
Bhat, T.N.5
Weissig, H.6
Shindyalov, I.N.7
Bourne, P.E.8
-
107
-
-
0000145441
-
Free energy calculations on enzyme reactions with an efficient iterative procedure to determine minimum energy paths on a combined ab initio QM/MM potential energy surface
-
Zhang, Y., Liu, H., and Yang, W. (2000) Free energy calculations on enzyme reactions with an efficient iterative procedure to determine minimum energy paths on a combined ab initio QM/MM potential energy surface. J. Chem. Phys. 112, 3483-3492.
-
(2000)
J. Chem. Phys
, vol.112
, pp. 3483-3492
-
-
Zhang, Y.1
Liu, H.2
Yang, W.3
|