-
1
-
-
38849196324
-
Water as an active constituent in cell biology
-
DOI 10.1021/cr068037a
-
Ball, P. Water as an active constituent in cell biology. Chem. Rev. 108, 74-108 (2008). (Pubitemid 351187472)
-
(2008)
Chemical Reviews
, vol.108
, Issue.1
, pp. 74-108
-
-
Ball, P.1
-
2
-
-
33750286994
-
Do we underestimate the importance of water in cell biology?
-
DOI 10.1038/nrm2021, PII NRM2021
-
Chaplin, M. Do we underestimate the importance of water in cell biology? Nat. Rev. Mol. Cell Biol. 7, 861-866 (2006). (Pubitemid 44627479)
-
(2006)
Nature Reviews Molecular Cell Biology
, vol.7
, Issue.11
, pp. 861-866
-
-
Chaplin, M.1
-
4
-
-
79957585828
-
Contribution of explicit solvent effects to the binding affinity of small-molecule inhibitors in blood coagulation factor serine proteases
-
Abel, R. et al. Contribution of explicit solvent effects to the binding affinity of small-molecule inhibitors in blood coagulation factor serine proteases. Chem. Med. Chem. 6, 1049-1066 (2011).
-
(2011)
Chem. Med. Chem.
, vol.6
, pp. 1049-1066
-
-
Abel, R.1
-
5
-
-
77950678935
-
Understanding kinase selectivity through energetic analysis of binding site waters
-
Robinson, D. D., Sherman, W. & Farid, R. Understanding kinase selectivity through energetic analysis of binding site waters. Chem. Med. Chem. 5, 618-627 (2010).
-
(2010)
Chem. Med. Chem.
, vol.5
, pp. 618-627
-
-
Robinson, D.D.1
Sherman, W.2
Farid, R.3
-
6
-
-
84856776282
-
Thermodynamic analysis of water molecules at the surface of proteins and applications to binding site prediction and characterization
-
Beuming, T. et al. Thermodynamic analysis of water molecules at the surface of proteins and applications to binding site prediction and characterization. Proteins 80, 871-883 (2012).
-
(2012)
Proteins
, vol.80
, pp. 871-883
-
-
Beuming, T.1
-
7
-
-
79952161696
-
Ligand binding to protein-binding pockets with wet and dry regions
-
Wang, L., Berne, B. J. & Friesner, R. A. Ligand binding to protein-binding pockets with wet and dry regions. Proc. Natl Acad. Sci. USA 108, 1326-1330 (2011).
-
(2011)
Proc. Natl Acad. Sci. USA
, vol.108
, pp. 1326-1330
-
-
Wang, L.1
Berne, B.J.2
Friesner, R.A.3
-
8
-
-
84873141738
-
Long-range protein-water dynamics in hyperactive insect antifreeze proteins
-
Meister, K. et al. Long-range protein-water dynamics in hyperactive insect antifreeze proteins. Proc. Natl Acad. Sci. USA 110, 1617-1622 (2013).
-
(2013)
Proc. Natl Acad. Sci. USA
, vol.110
, pp. 1617-1622
-
-
Meister, K.1
-
9
-
-
2342527858
-
Dynamics of water in biological recognition
-
Pal, S. K. & Zewail, A. H. Dynamics of water in biological recognition. Chem. Rev. 104, 2099-2123 (2004).
-
(2004)
Chem. Rev.
, vol.104
, pp. 2099-2123
-
-
Pal, S.K.1
Zewail, A.H.2
-
10
-
-
36749028305
-
Mapping hydration dynamics around a protein surface
-
DOI 10.1073/pnas.0707647104
-
Zhang, L. et al. Mapping hydration dynamics around a protein surface. Proc. Natl Acad. Sci. USA 104, 18461-18466 (2007). (Pubitemid 350210719)
-
(2007)
Proceedings of the National Academy of Sciences of the United States of America
, vol.104
, Issue.47
, pp. 18461-18466
-
-
Zhang, L.1
Wang, L.2
Kao, Y.-T.3
Qiu, W.4
Yang, Y.5
Okobiah, O.6
Zhong, D.7
-
11
-
-
0032586678
-
Solvent-exposed trytophans probe the dynamics at protein surfaces
-
Lakshmikanth, G. S. & Krishnamoorthy, G. Solvent-exposed tryptophans probe the dynamics at protein surfaces. Biophys. J. 77, 1100-1106 (1999). (Pubitemid 29362480)
-
(1999)
Biophysical Journal
, vol.77
, Issue.2
, pp. 1100-1106
-
-
Lakshmikanth, G.S.1
Krishnamoorthy, G.2
-
12
-
-
38049115489
-
An extended dynamical hydration shell around proteins
-
Ebbinghaus, S. et al. An extended dynamical hydration shell around proteins. Proc. Natl Acad. Sci. USA 104, 20749-20752 (2007).
-
(2007)
Proc. Natl Acad. Sci. USA
, vol.104
, pp. 20749-20752
-
-
Ebbinghaus, S.1
-
13
-
-
0037197848
-
Functional role of internal water molecules in rhodopsin revealed by x-ray crystallography
-
DOI 10.1073/pnas.082666399
-
Okada, T. et al. Functional role of internal water molecules in rhodopsin revealed by X-ray crystallography. Proc. Natl Acad. Sci. USA 99, 5982-5987 (2002). (Pubitemid 34493251)
-
(2002)
Proceedings of the National Academy of Sciences of the United States of America
, vol.99
, Issue.9
, pp. 5982-5987
-
-
Okada, T.1
Fujiyoshi, Y.2
Silow, M.3
Navarro, J.4
Landau, E.M.5
Shichida, Y.6
-
14
-
-
0015490257
-
Fluorescence probes for structure
-
Brand, L. & Gohlke, J. R. Fluorescence probes for structure. Annu. Rev. Biochem. 41, 843-868 (1972).
-
(1972)
Annu. Rev. Biochem.
, vol.41
, pp. 843-868
-
-
Brand, L.1
Gohlke, J.R.2
-
15
-
-
0023476453
-
Nile red as a polarity-sensitive fluorescent probe of hydrophobic protein surfaces
-
Sackett, D. L. & Wolff, J. Nile red as a polarity-sensitive fluorescent probe of hydrophobic protein surfaces. Anal. Biochem. 167, 228-234 (1987).
-
(1987)
Anal. Biochem.
, vol.167
, pp. 228-234
-
-
Sackett, D.L.1
Wolff, J.2
-
16
-
-
0030980794
-
Enhancement of protein spectra with tryptophan analogs: Fluorescence spectroscopy of protein-protein and protein-nucleic acid interactions
-
DOI 10.1016/S0076-6879(97)78010-8
-
Ross, J. B., Szabo, A. G. & Hogue, C. W. Enhancement of protein spectra with tryptophan analogs: fluorescence spectroscopy of protein-protein and proteinnucleic acid interactions. Methods Enzymol. 278, 151-190 (1997). (Pubitemid 27229919)
-
(1997)
Methods in Enzymology
, vol.278
, pp. 151-190
-
-
Ross, J.B.A.1
Szabo, A.G.2
Hogue, C.W.V.3
-
17
-
-
0028313949
-
Site-specific incorporation of biophysical probes into proteins
-
Cornish, V. W. et al. Site-specific incorporation of biophysical probes into proteins. Proc. Natl Acad. Sci. USA 91, 2910-2914 (1994). (Pubitemid 24130144)
-
(1994)
Proceedings of the National Academy of Sciences of the United States of America
, vol.91
, Issue.8
, pp. 2910-2914
-
-
Cornish, V.W.1
Benson, D.R.2
Altenbach, C.A.3
Hideg, K.4
Hubbell, W.L.5
Schultz, P.G.6
-
18
-
-
0033550202
-
Quaternary re-arrangement analysed by spectral enhancement: The interaction of a sporulation repressor with its antagonist
-
Scott, D. J. et al. Quaternary re-arrangement analysed by spectral enhancement: the interaction of a sporulation repressor with its antagonist. J. Mol. Biol. 293, 997-1004 (1999).
-
(1999)
J. Mol. Biol.
, vol.293
, pp. 997-1004
-
-
Scott, D.J.1
-
19
-
-
0037044304
-
A concerted structural transition in the plasminogen activator inhibitor-1 mechanism of inhibition
-
Blouse, G. E. et al. A concerted structural transition in the plasminogen activator inhibitor-1 mechanism of inhibition. Biochemistry 41, 11997-12009 (2002).
-
(2002)
Biochemistry
, vol.41
, pp. 11997-12009
-
-
Blouse, G.E.1
-
20
-
-
2442708919
-
Incorporation of the fluorescent amino acid 7-azatryptophan into the core domain 1-47 of hirudin as a probe of hirudin folding and thrombin recognition
-
DOI 10.1110/ps.03542104
-
De Filippis, V. et al. Incorporation of the fluorescent amino acid 7- azatryptophan into the core domain 1-47 of hirudin as a probe of hirudin folding and thrombin recognition. Protein Sci. 13, 1489-1502 (2004). (Pubitemid 38669237)
-
(2004)
Protein Science
, vol.13
, Issue.6
, pp. 1489-1502
-
-
De Filippis, V.1
De Boni, S.2
De Dea, E.3
Dalzoppo, D.4
Grandi, C.5
Fontana, A.6
-
21
-
-
0000326822
-
The effect of amino acid analogues on growth and protein synthesis in microorganisms
-
Richmond, M. H. The effect of amino acid analogues on growth and protein synthesis in microorganisms. Bacteriol. Rev. 26, 398-420 (1962).
-
(1962)
Bacteriol. Rev.
, vol.26
, pp. 398-420
-
-
Richmond, M.H.1
-
22
-
-
0000431110
-
Solvation and the excited-state tautomerization of 7-azaindole and 1-azacarbazole: Computer simulations in water and alcohol solvents
-
Mente, S. & Maroncelli, M. Solvation and the excited-state tautomerization of 7-azaindole and 1-azacarbazole: Computer simulations in water and alcohol solvents. J. Phys. Chem. A 102, 3860-3876 (1998). (Pubitemid 128611358)
-
(1998)
Journal of Physical Chemistry A
, vol.102
, Issue.22
, pp. 3860-3876
-
-
Mente, S.1
Maroncelli, M.2
-
23
-
-
4143059000
-
Photophysics and biological applications of 7-azaindole and its analogs
-
Smirnov, A. V. et al. Photophysics and biological applications of 7-azaindole and its analogs. J. Phys. Chem. B 101, 2758-2769 (1997). (Pubitemid 127585175)
-
(1997)
Journal of Physical Chemistry B
, vol.101
, Issue.15
, pp. 2758-2769
-
-
Smirnov, A.V.1
English, D.S.2
Rich, R.L.3
Lane, J.4
Teyton, L.5
Schwabacher, A.W.6
Luo, S.7
Thornburg, R.W.8
Petrich, J.W.9
-
24
-
-
0344825369
-
Hydrogen-bonding-induced phenomena in bifunctional heteroazaaromatics
-
Waluk, J. Hydrogen-bonding-induced phenomena in bifunctional heteroazaaromatics. Acc. Chem. Res. 36, 832-838 (2003).
-
(2003)
Acc. Chem. Res.
, vol.36
, pp. 832-838
-
-
Waluk, J.1
-
25
-
-
0000971413
-
Excited-state tautomerization of 7-azaindole in water
-
Chapman, C. F. & Maroncelli, M. Excited-state tautomerization of 7-azaindole in water. J. Phys. Chem. 96, 8430-8441 (1992).
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 8430-8441
-
-
Chapman, C.F.1
Maroncelli, M.2
-
26
-
-
0029566047
-
1-methyl-7- azatryptophan
-
DOI 10.1021/ja00153a005
-
Rich, R. L., Smirnov, A. V., Schwabacher, A. W. & Petrich, J. W. Synthesis and photophysics of the optical probe N1-methyl-7-azatryptophan. J. Am. Chem. Soc. 117, 11850-11853 (1995). (Pubitemid 26022298)
-
(1995)
Journal of the American Chemical Society
, vol.117
, Issue.48
, pp. 11850-11853
-
-
Rich, R.L.1
Smirnov, A.V.2
Schwabacher, A.W.3
Petrich, J.W.4
-
27
-
-
78149372421
-
Azatryptophans as tools to study polarity requirements for folding of green fluorescent protein
-
Hoesl, M. G., Larregola, M., Cui, H. & Budisa, N. Azatryptophans as tools to study polarity requirements for folding of green fluorescent protein. J. Pept. Sci. 16, 589-595 (2010).
-
(2010)
J. Pept. Sci.
, vol.16
, pp. 589-595
-
-
Hoesl, M.G.1
Larregola, M.2
Cui, H.3
Budisa, N.4
-
28
-
-
33751158095
-
Single-exponential fluorescence decay of the nonnatural amino acid 7-azatryptophan and the nonexponential fluorescence decay of tryptophan in water
-
Chen, Y., Gai, F. & Petrich, J. W. Single-exponential fluorescence decay of the nonnatural amino acid 7-azatryptophan and the nonexponential fluorescence decay of tryptophan in water. J. Phys. Chem. 98, 2203-2209 (1994).
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 2203-2209
-
-
Chen, Y.1
Gai, F.2
Petrich, J.W.3
-
29
-
-
0034829732
-
Water-catalysed excited-state double proton transfer in 3-cyano-7-azaindole: The resolution of the proton-transfer mechanism for 7-azaindoles in pure water
-
Chou, P. T., Yu, W. S., Wei, C. Y., Cheng, Y. M. & Yang, C. Y. Water-catalysed excited-state double proton transfer in 3-cyano-7-azaindole: the resolution of the proton-transfer mechanism for 7-azaindoles in pure water. J. Am. Chem. Soc. 123, 3599-3600 (2001).
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 3599-3600
-
-
Chou, P.T.1
Yu, W.S.2
Wei, C.Y.3
Cheng, Y.M.4
Yang, C.Y.5
-
30
-
-
33846256280
-
Phosphorescent dyes for organic light-emitting diodes
-
Chou, P. T. & Chi, Y. Phosphorescent dyes for organic light-emitting diodes. Chem. Eur. J. 13, 380-395 (2007).
-
(2007)
Chem. Eur. J.
, vol.13
, pp. 380-395
-
-
Chou, P.T.1
Chi, Y.2
-
31
-
-
21844434930
-
Structure and chemistry of cytochrome P450
-
DOI 10.1021/cr0307143
-
Denisov, I. G., Makris, T. M., Sligar, S. G. & Schlichting, I. Structure and chemistry of cytochrome P450. Chem. Rev. 105, 2253-2277 (2005). (Pubitemid 40951784)
-
(2005)
Chemical Reviews
, vol.105
, Issue.6
, pp. 2253-2277
-
-
Denisov, I.G.1
Makris, T.M.2
Sligar, S.G.3
Schlichting, I.4
-
32
-
-
29644441339
-
Role of active site water molecules and substrate hydroxyl groups in oxygen activation by cytochrome P450 158A2: A new mechanism of proton transfer
-
DOI 10.1074/jbc.M509220200
-
Zhao, B., Guengerich, F. P., Voehler, M. & Waterman, M. R. Role of active site water molecules and substrate hydroxyl groups in oxygen activation by cytochrome P450 158A2: a new mechanism of proton transfer. J. Biol. Chem. 280, 42188-42197 (2005). (Pubitemid 43023189)
-
(2005)
Journal of Biological Chemistry
, vol.280
, Issue.51
, pp. 42188-42197
-
-
Zhao, B.1
Guengerich, F.P.2
Voehler, M.3
Waterman, M.R.4
-
33
-
-
4644301430
-
The structure of human microsomal cytochrome P450 3A4 determined by X-ray crystallography to 2.05-A resolution
-
DOI 10.1074/jbc.C400293200
-
Yano, J. K. et al. The structure of human microsomal cytochrome P450 3A4 determined by X-ray crystallography to 2.05-A resolution. J. Biol. Chem. 279, 38091-38094 (2004). (Pubitemid 39295952)
-
(2004)
Journal of Biological Chemistry
, vol.279
, Issue.37
, pp. 38091-38094
-
-
Yano, J.K.1
Wester, M.R.2
Schoch, G.A.3
Griffin, K.J.4
Stout, C.D.5
Johnson, E.F.6
-
34
-
-
0017831391
-
Prostaglandins and thromboxanes
-
Samuelsson, B. et al. Prostaglandins and thromboxanes. Annu. Rev. Biochem. 47, 997-1029 (1978).
-
(1978)
Annu. Rev. Biochem.
, vol.47
, pp. 997-1029
-
-
Samuelsson, B.1
-
35
-
-
0037134011
-
2
-
DOI 10.1126/science.1068711
-
Cheng, Y. et al. Role of prostacyclin in the cardiovascular response to thromboxane A2. Science 296, 539-541 (2002). (Pubitemid 34408674)
-
(2002)
Science
, vol.296
, Issue.5567
, pp. 539-541
-
-
Cheng, Y.1
Austin, S.C.2
Rocca, B.3
Koller, B.H.4
Coffman, T.M.5
Grosser, T.6
Lawson, J.A.7
FitzGerald, G.A.8
-
36
-
-
3442896773
-
Crystal structures of human cytochrome P450 3A4 bound to metyrapone and progesterone
-
DOI 10.1126/science.1099736
-
Williams, P. A. et al. Crystal structures of human cytochrome P450 3A4 bound to metyrapone and progesterone. Science 305, 683-686 (2004). (Pubitemid 39006760)
-
(2004)
Science
, vol.305
, Issue.5684
, pp. 683-686
-
-
Williams, P.A.1
Cosme, J.2
Matak Vinkovic, D.3
Ward, A.4
Angove, H.C.5
Day, P.J.6
Vonrhein, C.7
Tickle, I.J.8
Jhoti, H.9
-
37
-
-
78149425848
-
Glial and neuronal control of brain blood flow
-
Attwell, D. et al. Glial and neuronal control of brain blood flow. Nature 468, 232-243 (2010).
-
(2010)
Nature
, vol.468
, pp. 232-243
-
-
Attwell, D.1
-
38
-
-
84873623567
-
Probing ligand binding to thromboxane synthase
-
Chao, W. C. et al. Probing ligand binding to thromboxane synthase. Biochemistry 52, 1113-1121 (2013).
-
(2013)
Biochemistry
, vol.52
, pp. 1113-1121
-
-
Chao, W.C.1
-
39
-
-
83055186861
-
Probing the interaction between prostacyclin synthase and prostaglandin H2 analogues or inhibitors via a combination of resonance Raman spectroscopy and molecular dynamics simulation approaches
-
Chao, W. C. et al. Probing the interaction between prostacyclin synthase and prostaglandin H2 analogues or inhibitors via a combination of resonance Raman spectroscopy and molecular dynamics simulation approaches. J. Am. Chem. Soc. 133, 18870-18879 (2011).
-
(2011)
J. Am. Chem. Soc.
, vol.133
, pp. 18870-18879
-
-
Chao, W.C.1
-
40
-
-
33751391903
-
Monohydrate catalysis of excited-state double-proton transfer in 7-azaindole
-
Chou, P. T. et al. Monohydrate catalysis of excited-state double-proton transfer in 7-azaindole. J. Phys. Chem. 96, 5203-5205 (1992).
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 5203-5205
-
-
Chou, P.T.1
-
41
-
-
41449117994
-
Structures of prostacyclin synthase and its complexes with substrate analog and inhibitor reveal a ligand-specific heme conformation change
-
Li, Y. C. et al. Structures of prostacyclin synthase and its complexes with substrate analog and inhibitor reveal a ligand-specific heme conformation change. J. Biol. Chem. 283, 2917-2926 (2008).
-
(2008)
J. Biol. Chem.
, vol.283
, pp. 2917-2926
-
-
Li, Y.C.1
-
42
-
-
0035868922
-
Excited-state intramolecular proton transfer in 10- hydroxybenzo(h) quinoline
-
Chou, P. T. et al. Excited-state intramolecular proton transfer in 10- hydroxybenzo(h)quinoline. J. Phys. Chem. A 105, 1731-1740 (2001).
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 1731-1740
-
-
Chou, P.T.1
-
43
-
-
18844366668
-
Femtosecond dynamics on excited-state proton/ charge-transfer reaction in 40-N,N-diethylamino-3-hydroxyflavone the role of dipolar vectors in constructing a rational mechanism
-
Chou, P. T. et al. Femtosecond dynamics on excited-state proton/ charge-transfer reaction in 40-N,N-diethylamino-3-hydroxyflavone. The role of dipolar vectors in constructing a rational mechanism. J. Phys. Chem. A 109, 3777-3787 (2005).
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 3777-3787
-
-
Chou, P.T.1
-
44
-
-
10844225583
-
The second-order approximate coupled cluster singles and doubles model CC2
-
Christiansen, O., Koch, H. & Jørgensen, P. The second-order approximate coupled cluster singles and doubles model CC2. Chem. Phys. Lett. 243, 409-418 (1995).
-
(1995)
Chem. Phys. Lett.
, vol.243
, pp. 409-418
-
-
Christiansen, O.1
Koch, H.2
Jørgensen, P.3
-
45
-
-
33746614482
-
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
-
Dunning, J. T. H. Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen. J. Chem. Phys. 90, 1007-1023 (1989).
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 1007-1023
-
-
Dunning, J.T.H.1
-
46
-
-
0036473751
-
Fast Solvent Screening via Quantum Chemistry: COSMO-RS Approach
-
DOI 10.1002/aic.690480220
-
Eckert, F. & Klamt, A. Fast solvent screening via quantum chemistry: COSMORS approach. AIChE J. 48, 369-385 (2002). (Pubitemid 37442384)
-
(2002)
AIChE Journal
, vol.48
, Issue.2
, pp. 369-385
-
-
Eckert, F.1
Klamt, A.2
-
47
-
-
4243539377
-
Electronic structure calculations on workstation computers: The program system turbomole
-
Ahlrichs, R., Bär, M., Häser, M., Horn, H. & Kölmel, C. Electronic structure calculations on workstation computers: The program system turbomole. Chem. Phys. Lett. 162, 165-169 (1989).
-
(1989)
Chem. Phys. Lett.
, vol.162
, pp. 165-169
-
-
Ahlrichs, R.1
Bär, M.2
Häser, M.3
Horn, H.4
Kölmel, C.5
-
48
-
-
0034301458
-
CC2 excitation energy calculations on large molecules using the resolution of the identity approximation
-
Hattig, C. & Weigend, F. CC2 excitation energy calculations on large molecules using the resolution of the identity approximation. J. Chem. Phys. 113, 5154-5161 (2000).
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 5154-5161
-
-
Hattig, C.1
Weigend, F.2
-
49
-
-
0038813858
-
Geometry optimizations with the coupled-cluster model CC2 using the resolution-of-the-identity approximation
-
Hattig, C. Geometry optimizations with the coupled-cluster model CC2 using the resolution-of-the-identity approximation. J. Chem. Phys. 118, 7751-7761 (2003).
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 7751-7761
-
-
Hattig, C.1
-
50
-
-
0141428905
-
Analytic gradients for excited states in the coupledcluster model CC2 employing the resolution-of-the-identity approximation
-
Kohn, A. & Hattig, C. Analytic gradients for excited states in the coupledcluster model CC2 employing the resolution-of-the-identity approximation. J. Chem. Phys. 119, 5021-5036 (2003).
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 5021-5036
-
-
Kohn, A.1
Hattig, C.2
|